SCHEMBL3818978

SCHEMBL3818978

[CH2]Cc1cccc2scnc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP1 P29466 1/20 0.34
NAMPT P43490 3/20 0.33
PRMT5 O14744 1/20 0.32
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL5546554 0.85 ALDH1A1 (0.38) ALDH1A1HSD17B10CASP1NAMPTPRMT5
SCHEMBL5543831 0.82 ALDH1A1 (0.36) ALDH1A1HSD17B10CASP1NAMPTHTR1A
SCHEMBL5542409 0.81 ALDH1A1 (0.35) ALDH1A1HSD17B10CASP1NAMPTHTR1A
SCHEMBL3221951 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1NAMPTPRMT5
SCHEMBL764250 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1NAMPTPRMT5
SCHEMBL3224144 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1NAMPTPRMT5
SCHEMBL17361322 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1NAMPTPRMT5
SCHEMBL11498977 0.80 GABRA1 (0.41) ALDH1A1HSD17B10CASP1NAMPTHTR1A
SCHEMBL5543610 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10CASP1NAMPT
SCHEMBL22838441 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10CASP1NAMPTPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP disclosed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO disclosed
CN-1193020-C Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2005-03-16 CN disclosed
US-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
CN-1366523-A Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2002-08-28 CN disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC ALDH1A1 651/4885HSD17B10 214/4885CASP1 2249/4885

“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.