SCHEMBL3969595

SCHEMBL3969595

[c]1ccc(C2=NOC(c3ccccn3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.52
PTPN1 P18031 1/20 0.43
CYP2C9 P11712 1/20 0.38
UGT1A1 P22309 1/20 0.38
P2RX3 P56373 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAOB P27338 3/20 0.35
ATR Q13535 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL27207712 0.89 S1PR1 (0.55) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL12922857 0.87 S1PR1 (0.53) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL3972682 0.84 S1PR1 (0.54) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL3972689 0.84 S1PR1 (0.54) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL12922849 0.81 S1PR1 (0.47) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL3975059 0.81 S1PR1 (0.53) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL3975065 0.81 S1PR1 (0.53) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL12922854 0.80 CYP2A6 (0.47) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL739263 0.79 S1PR1 (0.57) S1PR1PTPN1CYP2C9UGT1A1P2RX3
SCHEMBL3972723 0.77 CA12 (0.40) S1PR1PTPN1CYP2C9NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
US-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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 (2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 S1PR1 1181/4885PTPN1 3006/4885CYP2C9 1545/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 S1PR1 2933/4885PTPN1 3955/4885CYP2C9 1086/4885

“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.