SCHEMBL5097405

SCHEMBL5097405

O=C(Nc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.58
IRAK1 P51617 2/20 0.58
MAP3K7 O43318 1/20 0.58
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5089620 0.82 RAB9A (0.70) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL5097531 0.80 IRAK4 (0.69) IRAK4IRAK1ALDH1A1KDM4ERXFP1
SCHEMBL6258346 0.78 ALDH1A1 (0.52) IRAK4IRAK1MAP3K7NPC1RAB9A
SCHEMBL28652762 0.76 ALDH1A1 (0.53) IRAK4IRAK1MAP3K7NPC1RAB9A
SCHEMBL29313498 0.75 EGFR (0.53) IRAK4IRAK1MAP3K7NPC1RAB9A
SCHEMBL16755391 0.74 EGFR (0.61) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL1923996 0.74 IRAK4 (1.00) IRAK4IRAK1MAP3K7
SCHEMBL11707540 0.73 RAB9A (0.69) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL21025638 0.73 MAP3K7 (0.69) IRAK4IRAK1MAP3K7ALDH1A1MAPT
SCHEMBL16755407 0.73 EGFR (0.53) NPC1RAB9ATP53ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338956-B2 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-04 US disclosed
EP-1534275-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-10 US disclosed
WO-2004014369-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388341-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP 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-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals EDNRA, LIPG, CYP11B1 IRAK4 2523/4885IRAK1 2469/4885MAP3K7 3107/4885

“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.