SCHEMBL7561562

SCHEMBL7561562

CC(C)N1CCSc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM1A O60341 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
SHMT2 P34897 1/20 0.37
RYR2 Q92736 1/20 0.37

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
SCHEMBL27545966 0.80 NOTUM (0.49) NOTUMKDM4EMAPTALDH1A1LMNA
SCHEMBL9802357 0.80 NOTUM (0.40) NOTUMKDM4EMAPTALDH1A1KDM1A
Bromide SCHEMBL9694485 0.78 NOTUM (0.39) NOTUMKDM4EMAPTALDH1A1KDM1A
SCHEMBL1106902 0.77 CYP2D6 (0.39) KDM1AHPGDSMN1; SMN2POLB
SCHEMBL3969979 0.76 NOTUM (0.56) NOTUMKDM4EMAPTALDH1A1LMNA
SCHEMBL19157294 0.72 NOTUM (0.51) NOTUMKDM4EMAPTALDH1A1LMNA
SCHEMBL3969974 0.72 NOTUM (0.51) NOTUMKDM4EMAPTALDH1A1LMNA
SCHEMBL3315465 0.72 NOTUM (0.51) NOTUMKDM4EMAPTALDH1A1LMNA
SCHEMBL12570386 0.72 NOTUM (0.51) NOTUMKDM4EMAPTALDH1A1KDM1A
SCHEMBL12649500 0.72 POLB (0.52) NOTUMKDM4EMAPTALDH1A1LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9447103-B2 Inauhzin analogues that induce P53, inhibit cell growth, and have antitumor activity INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-09-20 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2015-07-16 US disclosed
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2015-07-16 US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
WO-2002020498-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF 3,4-DIHYDRO-1,4-BENZOTHIAZINE DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-03-14 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 NOTUM 3529/4885KDM4E 465/4885MAPT 3833/4885
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, MDH1 NOTUM 1501/4885KDM4E 1908/4885MAPT 2356/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 NOTUM 3529/4885KDM4E 465/4885MAPT 3833/4885
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 NOTUM 1648/4885KDM4E 2780/4885MAPT 3478/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 NOTUM 2402/4885KDM4E 4457/4885MAPT 3058/4885
US-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 NOTUM 3309/4885KDM4E 418/4885MAPT 2186/4885
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NOP58 NOTUM 1717/4885KDM4E 4482/4885MAPT 3443/4885

“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.