SCHEMBL3070140

SCHEMBL3070140

NC(=O)Cc1csc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
JUN P05412 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAPT P10636 2/20 0.51
TAAR1 Q96RJ0 1/20 0.49
HDAC6 Q9UBN7 3/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 2/20 0.46
MTNR1A P48039 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRNA7 P36544 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL6979554 0.86 CYP2A6 (0.61) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL10370773 0.85 CYP2A6 (0.66) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL1233284 0.84 CYP2A6 (0.63) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL8905373 0.83 CYP2A6 (0.58) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL30138881 0.83 CYP2A6 (0.58) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL12174999 0.82 CYP2A6 (0.61) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL6710511 0.82 CYP2A6 (0.61) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL13995272 0.81 CYP2A6 (0.56) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL8869956 0.81 CYP2A6 (0.56) CYP2A6JUNMAPK8MAPK9SMN1; SMN2
SCHEMBL6673016 0.81 CYP2A6 (0.59) CYP2A6JUNMAPK8MAPK9SMN1; SMN2

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
US-8202894-B2 Microbiocides SYNGENTA CROP PROTECTION LLC (US) 2012-06-19 US disclosed
US-20100227898-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-09 US disclosed
EP-2170858-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2010-04-07 EP disclosed
WO-2009003672-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-08 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-6713505-B2 SUCH AS N-(2-((3-(AMINOOXOACETYL)-2-ETHYLBENZO(B)THIOPHEN-4-YL)OXY) ACETYL)GLYCINE; SECRETORY PHOSPHOLIPASE A2 (SPLA2) ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-20030236232-A1 Novel spla2 inhibitors ELI LILLY AND COMPANY 2003-12-25 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
EP-1224932-A1 DRUGS INHIBITING CELL DEATH SAGAMI CHEMICAL RESEARCH CENTER (JP) 2002-07-24 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
EP-0422119-A4 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR 1991-11-13 EP disclosed
EP-0422119-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1991-04-17 EP disclosed
WO-1989012447-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1989-12-28 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 (5 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-20030236232-A1 Novel spla2 inhibitors PLA2G2E, PLA2G4B, PLA2G12A CYP2A6 1690/4885JUN 2200/4885MAPK8 4172/4885
US-20100227898-A1 NOVEL MICROBIOCIDES FPR1, CD14, MSR1 CYP2A6 747/4885JUN 3299/4885MAPK8 4234/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885JUN 3918/4885MAPK8 4269/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CYP2A6 152/4885JUN 824/4885MAPK8 2531/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP2A6 279/4885JUN 936/4885MAPK8 2518/4885

“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.