SCHEMBL2489367

SCHEMBL2489367

CC1(C)C(=O)N(Cc2ccccc2)c2cc([N+](=O)[O-])c(NC(=O)C=Cc3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
HDAC1 Q13547 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
SCHEMBL2489363 1.00 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10698512 0.80 MAPT (0.43) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2491476 0.79 NPC1 (0.49) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2491481 0.79 NPC1 (0.49) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10699123 0.79 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10531417 0.76 RAB9A (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10531415 0.76 RAB9A (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2488757 0.75 TDP1 (0.50) MAPTALDH1A1MEN1KMT2A
SCHEMBL10711637 0.74 NPC1 (0.48) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2486765 0.73 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1MEN1

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 4 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
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 MAPT 2325/4885RAB9A 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.