SCHEMBL3964728

SCHEMBL3964728

OCc1cc(O)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
RAD52 P43351 3/20 0.43
GLA P06280 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
TYMS P04818 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAOA P21397 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL7262455 0.86 KDM4E (0.43) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL11341944 0.84 ELANE (0.42) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL2532916 0.84 TNKS2 (0.46) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL3964725 0.84 KDM4E (0.40) KDM4EALDH1A1POLBGLALMNA
SCHEMBL7262454 0.81 KDM4E (0.40) KDM4EALDH1A1POLBGLAGAA
SCHEMBL4278249 0.81 KDM4E (0.49) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL472912 0.80 MEN1 (0.42) KDM4EALDH1A1POLBRAB9ALMNA
SCHEMBL64767 0.78 MYC (0.52) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL29376440 0.78 MYC (0.52) KDM4EALDH1A1POLBRAD52GLA
SCHEMBL3972718 0.78 KDM4E (0.50) KDM4EALDH1A1POLBRAD52GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
EP-2997382-B1 ALKYL QUINOLONES AS BIOMARKERS OF PSEUDOMONAS AERUGINOSA INFECTION AND USES THEREOF UNIV NOTTINGHAM (GB) 2018-07-11 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-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
EP-1590328-A4 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2007-09-19 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
EP-1807419-A1 (2-CARBOXAMIDO)(3-AMINO) THIOPHENE COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006047574-A1 (2-CARBOXAMIDO)(3-AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-05-04 WO disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US 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 KDM4E 2397/4885ALDH1A1 839/4885POLB 1914/4885

“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.