SCHEMBL3985673

SCHEMBL3985673

NC(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 4/20 0.52
NOTUM Q6P988 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PTPN1 P18031 2/20 0.46
IP6K1 Q92551 1/20 0.46
PTGS2 P35354 1/20 0.45
GAA P10253 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL17873963 0.91 RAB9A (0.55) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3989788 0.86 MEN1 (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3990021 0.86 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL212382 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28091339 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17211628 0.85 LOXL2 (0.50) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3981042 0.84 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3989188 0.84 LMNA (0.51) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15774608 0.84 HSD17B1 (0.47) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3981490 0.84 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US claimed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
EP-3237411-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 EP disclosed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN disclosed
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2022-06-09 US disclosed
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-06-18 US disclosed
US-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
CN-1687075-A 3-phenyl iso-oxazole-5-aminocarbonyl substituted beta-lactam derivative and application TIANJIN MEDICINE INST (CN) 2005-10-26 CN 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 (8 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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 RAB9A 3528/4885SMN1; SMN2 4569/4885MEN1 3908/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885SMN1; SMN2 4168/4885MEN1 1740/4885
US-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885SMN1; SMN2 4168/4885MEN1 1740/4885
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, SCNN1B, SCNN1G RAB9A 715/4885SMN1; SMN2 4744/4885MEN1 4638/4885
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G RAB9A 715/4885SMN1; SMN2 4744/4885MEN1 4638/4885
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES FCER2, FCGR2A, FCGR1A RAB9A 1222/4885SMN1; SMN2 4830/4885MEN1 4763/4885
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 RAB9A 1690/4885SMN1; SMN2 1913/4885MEN1 3829/4885

“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.