SCHEMBL3975907

SCHEMBL3975907

[CH2]Oc1cc(C)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
NCF1 P14598 4/20 0.55
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL29877118 0.83 LMNA (0.64) CYP1A2NCF1MEN1HTTKMT2A
SCHEMBL266444 0.83 LMNA (0.64) CYP1A2NCF1MEN1HTTKMT2A
SCHEMBL25490903 0.81 NCF1 (0.59) CYP1A2NCF1MEN1HTTKMT2A
SCHEMBL4219099 0.80 LMNA (0.61) CYP1A2HTTKMT2ALMNASMN1; SMN2
SCHEMBL3969723 0.80 LMNA (0.47) CYP1A2LMNAMAPTKDM4EALDH1A1
SCHEMBL7532440 0.80 CYP1A2 (0.56) CYP1A2NCF1MEN1HTTKMT2A
SCHEMBL3964960 0.79 HPGD (0.51) MEN1HTTKMT2ALMNAHPGD
SCHEMBL423902 0.79 CYP1A2 (0.55) CYP1A2NCF1SMN1; SMN2TP53GAA
SCHEMBL12283481 0.79 NCF1 (0.56) CYP1A2NCF1MEN1HTTKMT2A
SCHEMBL3726261 0.78 CYP1A2 (0.50) CYP1A2NCF1MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US 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-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
US-6825215-B2 N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
EP-1355901-A2 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) Bristol-Myers Squibb Pharma Company (US) 2003-10-29 EP disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
WO-2002055516-A2 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) BRISTOL MYERS SQUIBB CO (US) 2002-07-18 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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 (1 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 CYP1A2 1247/4885NCF1 992/4885MEN1 2102/4885

“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.