SCHEMBL6708718

SCHEMBL6708718

Nc1ccc2onc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.42
GRM5 P41594 1/20 0.36
ROCK1 Q13464 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL6713370 0.93 HIF1A (0.42) HIF1AGRM5ROCK1NPC1RAB9A
SCHEMBL6709172 0.89 HIF1A (0.42) HIF1AGRM5NPC1RAB9AMEN1
SCHEMBL6707747 0.89 HIF1A (0.35) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL6710375 0.87 HIF1A (0.57) HIF1AROCK1
SCHEMBL6708056 0.87 HIF1A (0.46) HIF1AGRM5ROCK1MEN1KMT2A
SCHEMBL6710266 0.87 HIF1A (0.44) HIF1ANPC1RAB9AJAK2JAK1
SCHEMBL6707935 0.86 HIF1A (0.45) HIF1AROCK1NPC1MEN1KMT2A
SCHEMBL6713334 0.86 HIF1A (0.45) HIF1AGRM5NPC1RAB9AMEN1
SCHEMBL6712224 0.86 HIF1A (0.34) HIF1A
SCHEMBL6710023 0.85 HIF1A (0.43) HIF1ANPC1RAB9AJAK2MEN1

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 1 patent. 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

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 HIF1A 296/4885GRM5 4139/4885ROCK1 4830/4885

“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.