SCHEMBL58111

SCHEMBL58111

[O]c1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLG P00747 1/20 0.46
LMNA P02545 2/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP3A4 P08684 3/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL29923403 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL199273 0.75 PLAU (0.60) PLAUCYP2A6F12NCF1NOS3
SCHEMBL276689 0.74 CLK1 (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4797349 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL30522769 0.73 PLAU (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL24663121 0.73 CYP2A6 (0.58) PLAUCYP2A6F12NCF1NOS3
SCHEMBL27740667 0.73 PLAU (0.57) PLAUCYP2A6F12NCF1NOS3
SCHEMBL277424 0.73 CYP3A4 (0.44) ALDH1A1SMN1; SMN2LMNACYP3A4PMP22
SCHEMBL24061845 0.73 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1567649 0.71 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3

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 1924 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240210412-A1 SULFONYL-TRIAZOLE COMPOUNDS USEFUL AS LIGANDS AND INHIBITORS OF PROSTAGLANDIN REDUCTASE 2 UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-06-27 US claimed
US-20240199701-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-20 US claimed
CN-118159549-A Immunomodulators 百时美施贵宝公司 2024-06-07 CN claimed
EP-4314012-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-02-07 EP claimed
CN-117157306-A Immunomodulators 百时美施贵宝公司 2023-12-01 CN claimed
WO-2023178324-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SALTS OF SALCAPROZATE AND NICOTINAMIDE FOR IMPROVING ORAL BIOAVAILABILITY BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-21 WO claimed
WO-2023165591-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUTHER PHARMATECH (SHANGHAI) CO., LTD. (CN) 2023-09-07 WO claimed
US-11697812-B2 Methods and compositions for the specific inhibition of transthyretin (TTR) by double-stranded RNA DICERNA PHARMACEUTICALS, INC. (US) 2023-07-11 US claimed
WO-2023069994-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-27 WO claimed
US-11359198-B2 Extended dicer substrate agents and methods for the specific inhibition of gene expression DICERNA PHARMACEUTICALS, INC. (US) 2022-06-14 US claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
WO-2004067498-A2 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2004-08-12 WO claimed
US-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US claimed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 US claimed
EP-0860435-A1 Pyridazin-3-one derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-08-26 EP claimed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP claimed
US-5439874-A Preemergence, postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-08-08 US claimed
EP-0540673-A4 1994-04-27 EP claimed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP claimed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240199701-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PLAU 4002/4885CYP2A6 4871/4885F12 4520/4885
US-20240210412-A1 SULFONYL-TRIAZOLE COMPOUNDS USEFUL AS LIGANDS AND INHIBITORS OF PROSTAGLANDIN REDUCTASE 2 PTGDR2, PTGFR, PTGDR PLAU 2684/4885CYP2A6 656/4885F12 2861/4885
US-11697812-B2 Methods and compositions for the specific inhibition of transthyretin (TTR) by double-stranded RNA TTR, RNASE1, SARNP PLAU 2178/4885CYP2A6 4470/4885F12 2117/4885

“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.