SCHEMBL2485985

SCHEMBL2485985

CC[C@@H](O)CN1C(=O)C(C)(C)c2cc3nc(NC(=O)c4ccccc4)[nH]c3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
PKM P14618 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
KLF5 Q13887 2/20 0.42
SCD O00767 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
CSNK1E P49674 4/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL2485982 1.00 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2492168 1.00 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13367906 0.87 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2489384 0.86 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2488172 0.86 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2489451 0.85 AURKA (0.52) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341623 0.85 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2489054 0.84 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341619 0.84 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2488874 0.84 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2MAOB

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 3 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US 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 2329/4885PKM 642/4885

“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.