SCHEMBL6586695

SCHEMBL6586695

Cc1cc(C)c(N)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
PSMB5 P28074 2/20 0.46
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ESR2 Q92731 1/20 0.42
METAP2 P50579 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2B6 P20813 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30818025 1.00 NUDT1 (0.47) NUDT1PSMB5LMNASMN1; SMN2MCOLN3
SCHEMBL8574705 0.89 MAOB (0.42) NUDT1PSMB5LMNASMN1; SMN2MCOLN3
SCHEMBL2799978 0.89 NUDT1 (0.51) NUDT1PSMB5LMNAKDM4EESR2
SCHEMBL9326316 0.85 ALDH1A1 (0.54) NUDT1KDM4EESR2ALDH1A1HSD17B10
SCHEMBL22517389 0.83 ALDH1A1 (0.52) ESR2ALDH1A1HSD17B10TP53CYP3A4
SCHEMBL3791658 0.83 ACHE (0.42) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL25932259 0.83 NUDT1 (0.47) NUDT1PSMB5SMN1; SMN2KDM4EESR2
SCHEMBL3788483 0.82 NPC1 (0.48) SMN1; SMN2KDM4EALDH1A1HSD17B10TP53
SCHEMBL22554778 0.82 ALDH1A1 (0.50) LMNAKDM4EESR2ALDH1A1HSD17B10
Hydrogen Peroxide SCHEMBL28323910 0.81 KDM4E (0.48) LMNAKDM4EALDH1A1TP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659245-A Linear medium-low density vinyl polymer with polar groups 中国石油天然气股份有限公司 2024-03-08 CN disclosed
US-10825999-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-11-03 US disclosed
US-10825999-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-11-03 US disclosed
EP-3231808-B1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZING, AND METHOD FOR OLEFIN OLIGOMERIZATION USING SAME LG CHEMICAL LTD (KR) 2020-07-22 EP disclosed
CN-107207545-B Ligand compound, oligomerization catalyst system and olefin oligomerization method using the same LG化学株式会社 2020-07-07 CN disclosed
US-10344044-B2 Ligand compound, catalyst system for oligomerization, and method for olefin oligomerization using the same LG CHEM, LTD. (KR) 2019-07-09 US disclosed
US-20180261781-A1 OGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2018-09-13 US disclosed
US-20170369515-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME (As Amended) LG CHEM, LTD. (KR) 2017-12-28 US disclosed
EP-3231808-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZING, AND METHOD FOR OLEFIN OLIGOMERIZATION USING SAME LG Chem, Ltd. (KR) 2017-10-18 EP disclosed
CN-107207545-A ligand compound, oligomerization catalyst system and olefin oligomerization method using the same LG化学株式会社 2017-09-26 CN disclosed
US-8383545-B2 Strategies, linkers and coordination polymers for high-performance sorbents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-02-26 US disclosed
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-05 US disclosed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170369515-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME (As Amended) OXER1, NOTUM, OSTC NUDT1 393/4885PSMB5 1650/4885LMNA 4497/4885
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 NUDT1 3160/4885PSMB5 2687/4885LMNA 3207/4885
US-20180261781-A1 OGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND OCIAD1, OGFOD1, ODC1 NUDT1 1517/4885PSMB5 3393/4885LMNA 4058/4885
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS ILK, TIMCC, EPCAM NUDT1 3291/4885PSMB5 4108/4885LMNA 4273/4885
US-10825999-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 NUDT1 2308/4885PSMB5 3454/4885LMNA 4476/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 NUDT1 3160/4885PSMB5 2687/4885LMNA 3207/4885
US-10344044-B2 Ligand compound, catalyst system for oligomerization, and method for olefin oligomerization using the same OXER1, OSTC, OCIAD1 NUDT1 220/4885PSMB5 2279/4885LMNA 4512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.