SCHEMBL7246282

SCHEMBL7246282

COC(=O)CNCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ATM Q13315 2/20 0.55
TAAR1 Q96RJ0 5/20 0.49
PLAAT5 Q96KN8 3/20 0.49
PLAAT4 Q9UL19 3/20 0.49
GAA P10253 2/20 0.49
PLAAT3 P53816 2/20 0.49
PLAAT2 Q9NWW9 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
MAPT P10636 1/20 0.48
MGLL Q99685 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4753824 0.90 KMT2A (0.50) CA12CA9CA7CA14MEN1
SCHEMBL9543983 0.90 SIGMAR1 (0.58) CA12CA9CA7CA14MEN1
SCHEMBL5695106 0.88 SIGMAR1 (0.58) SIGMAR1
SCHEMBL7415640 0.85 LTA4H (0.63) MEN1KMT2AATMGAARAB9A
SCHEMBL9543993 0.84 CA12 (0.68) CA12CA9CA7CA14MEN1
Hydrochloric Acid SCHEMBL27717592 0.83 LTA4H (0.61) MEN1KMT2AATMGAANPC1
SCHEMBL948952 0.83 NPC1 (0.49) CA12CA9CA7CA14MEN1
SCHEMBL9544244 0.83 CYP1A2 (0.51) MEN1KMT2ATAAR1PLAAT5PLAAT4
SCHEMBL9544789 0.83 SMN1; SMN2 (0.61) MEN1KMT2AATMTAAR1PLAAT5
SCHEMBL6676173 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CA2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624157-B2 Antitumor agents BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
EP-0925303-B1 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-23 EP disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-20010039273-A1 Thiadioxobenzodiazepine inhibitors of farnesyl protein transferase DING CHARLES Z (US) 2001-11-08 US disclosed
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
EP-0918771-A4 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2001-02-07 EP disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0918771-A1 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-02 EP disclosed
US-5830915-A ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed
WO-1998008853-A9 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS 1998-08-06 WO disclosed
WO-1998008853-A1 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed
WO-1998002436-A1 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-22 WO disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
WO-1997011949-A1 DIAZABICYCLOOCTANE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 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 (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-20010039273-A1 Thiadioxobenzodiazepine inhibitors of farnesyl protein transferase CBR1, CBR3, FNTB CA12 2992/4885CA9 1201/4885CA7 2204/4885

“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.