SCHEMBL6713370

SCHEMBL6713370

Nc1ccc2c(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)noc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.42
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GRM5 P41594 1/20 0.34
ROCK1 Q13464 1/20 0.33
HDAC1 Q13547 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL6708056 0.93 HIF1A (0.46) HIF1AKDM4EALDH1A1GRM5ROCK1
SCHEMBL6708718 0.93 HIF1A (0.42) HIF1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL6707842 0.90 HIF1A (0.43) HIF1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL6712127 0.89 HIF1A (0.35) HIF1ARAB9AMEN1KMT2A
SCHEMBL6710375 0.87 HIF1A (0.57) HIF1AROCK1
SCHEMBL6711782 0.87 HIF1A (0.41) HIF1ARAB9AKDM4EALDH1A1GRM5
SCHEMBL6711807 0.86 HIF1A (0.45) HIF1ANPC1KDM4EROCK1MEN1
SCHEMBL6709857 0.86 HIF1A (0.45) HIF1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL6710001 0.86 HIF1A (0.34) HIF1A
SCHEMBL6710363 0.85 HIF1A (0.39) HIF1ANPC1RAB9AKDM4EALDH1A1

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 HIF1A 296/4885NPC1 3891/4885RAB9A 3732/4885

“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.