SCHEMBL2516486

SCHEMBL2516486

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PKM P14618 3/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
XBP1 P17861 1/20 0.43
KLF5 Q13887 2/20 0.42
SCD O00767 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL2489994 0.94 NPC1 (0.47) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL13367906 0.90 NPC1 (0.47) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2489451 0.90 AURKA (0.52) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL13341594 0.89 MEN1 (0.53) NPC1RAB9ASMN1; SMN2PKMXBP1
SCHEMBL13341602 0.89 AURKA (0.42) NPC1RAB9ASMN1; SMN2PKMXBP1
SCHEMBL13341574 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PKMXBP1
SCHEMBL13341571 0.89 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2XBP1AURKA
SCHEMBL2491110 0.89 KDR (0.41) NPC1RAB9ASMN1; SMN2XBP1AURKA
SCHEMBL2488874 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL13341569 0.88 AURKA (0.40) NPC1RAB9ASMN1; SMN2XBP1AURKA

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
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US 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 NPC1 2360/4885RAB9A 2329/4885SMN1; SMN2 1967/4885

“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.