SCHEMBL6710243

SCHEMBL6710243

Cc1noc(-c2ccccc2)c1C([NH])=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
LPAR1 Q92633 1/20 0.48
LPAR3 Q9UBY5 1/20 0.48
PTPN1 P18031 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TRPA1 O75762 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1I2 O75469 1/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
TDO2 P48775 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL928538 0.86 PTGS1 (0.54) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL4676416 0.85 PTGS1 (0.53) PTGS1LPAR1LPAR3PTPN1MAPT
Hydrochloric Acid SCHEMBL19119250 0.85 PTGS1 (0.53) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL893014 0.83 PTGS1 (0.51) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL13508 0.83 PTGS1 (0.51) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL5533717 0.83 KMT2A (0.58) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL11128848 0.83 PTGS1 (0.51) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL353820 0.81 IP6K1 (0.53) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL16502243 0.81 PTGS1 (0.73) PTGS1LPAR1LPAR3PTPN1MAPT
SCHEMBL13438 0.78 PTGS1 (0.69) PTGS1LPAR1LPAR3MAPTKDM4E

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 4 patents. 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

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

For each of this compound's patents that has machine-readable text (2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PTGS1 1006/4885LPAR1 4592/4885LPAR3 4819/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 PTGS1 1137/4885LPAR1 4344/4885LPAR3 4736/4885

“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.