SCHEMBL1136396

SCHEMBL1136396

Cc1ccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])cc1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
BTK Q06187 1/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 1/20 0.45
EGFR P00533 3/20 0.42

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
SCHEMBL1136395 1.00 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1136387 0.88 BTK (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1136385 0.88 BTK (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1136434 0.88 BTK (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1136433 0.88 BTK (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1136373 0.88 BTK (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1136372 0.88 BTK (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1136399 0.84 BTK (0.53) NPC1RAB9ABTKEGFR
SCHEMBL1136400 0.84 BTK (0.53) NPC1RAB9ABTKEGFR
SCHEMBL1136426 0.83 BTK (0.52) MEN1KMT2AMAPTNPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
US-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
EP-1919910-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP claimed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
EP-1919910-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP disclosed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents AZI2, CDKN1A, CCNI MEN1 1195/4885KMT2A 1130/4885MAPT 4793/4885

“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.