SCHEMBL2489397

SCHEMBL2489397

CCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)c([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 8/20 0.43
THRB P10828 1/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSPA9 P38646 2/20 0.39
CYP2C9 P11712 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL2485998 0.89 MAPT (0.46) KMT2AMEN1CYP1A2MAPTHTT
SCHEMBL10698083 0.89 NPC1 (0.40) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10710954 0.87 MAPT (0.39) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10709260 0.87 MAPT (0.49) KMT2AMEN1CYP1A2CYP2C19MAPT
SCHEMBL10697943 0.84 MAPT (0.41) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10698960 0.83 MAPT (0.41) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL10696183 0.82 MAPT (0.51) KMT2AMEN1CYP1A2CYP2C19MAPT
SCHEMBL10699997 0.82 MAPT (0.51) KMT2AMEN1ALDH1A1CYP2C19MAPT
SCHEMBL10698900 0.82 NPC1 (0.52) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10696534 0.81 MAPT (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 KMT2A 2581/4885MEN1 1549/4885ALDH1A1 618/4885

“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.