SCHEMBL6817657

SCHEMBL6817657

CCc1c(C(=O)O)noc1-c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
RAB9A P51151 4/20 0.41
DUSP3 P51452 7/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASR P41180 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CHUK O15111 2/20 0.37
TXNRD1 Q16881 2/20 0.37
NOX4 Q9NPH5 2/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2564471 0.82 PTPN1 (0.61) PTPN1DUSP3TP53KDM4EMEN1
SCHEMBL5729094 0.79 ESR1 (0.45) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL405325 0.76 S1PR1 (0.46) PTPN1KDM4E
SCHEMBL4395634 0.75 ALDH1A1 (0.54) PTPN1RAB9AMAPTNPC1HPGD
SCHEMBL6834238 0.74 KAT2B (0.45) PTPN1
SCHEMBL5730462 0.73 ESR2 (0.43) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL19668565 0.73 KDM4E (0.42) PTPN1RAB9AMAPTNPC1HPGD
SCHEMBL1686474 0.72 PTPN1 (0.45) PTPN1RAB9ADUSP3MAPTNPC1
SCHEMBL1686554 0.72 PTPN1 (0.45) PTPN1DUSP3MAPTSMN1; SMN2KDM4E
SCHEMBL1686409 0.72 ALOX5AP (0.50) PTPN1DUSP3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 PTPN1 3166/4885RAB9A 4337/4885DUSP3 2301/4885

“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.