SCHEMBL6709183

SCHEMBL6709183

COc1ccc2c(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)noc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HIF1A Q16665 3/20 0.43
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
CNR1 P21554 1/20 0.36
CASP1 P29466 1/20 0.36
CNR2 P34972 1/20 0.36
CASP7 P55210 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
SCHEMBL6711918 0.92 HIF1A (0.36) MAPTTP53POLBHIF1ARXFP1
SCHEMBL6710140 0.88 ESR1 (0.39) MAPTTP53POLBHIF1A
SCHEMBL6709014 0.87 HIF1A (0.48) MAPTPOLBHIF1ATHRBSMN1; SMN2
SCHEMBL6711854 0.87 HIF1A (0.34) MAPTTP53POLBHIF1A
SCHEMBL6713307 0.87 HIF1A (0.41) HIF1AMEN1KMT2A
SCHEMBL6707793 0.87 HIF1A (0.45) MAPTPOLBHIF1ATHRBSMN1; SMN2
SCHEMBL6710451 0.86 MAOB (0.40) MAPTALDH1A1HPGDLRRK2
SCHEMBL6713524 0.86 ALPL (0.41) MAPTTP53POLBHIF1ACNR2
SCHEMBL6714271 0.86 HIF1A (0.48) HIF1A
SCHEMBL6710321 0.85 MAPT (0.42) MAPTTP53POLBHIF1ARXFP1

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MAPT 4754/4885TP53 2699/4885POLB 626/4885

“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.