SCHEMBL2487310

SCHEMBL2487310

COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])NC(=O)C3(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ABCB1 P08183 2/20 0.47
ABCC1 P33527 1/20 0.47
ALOX5 P09917 1/20 0.46
F10 P00742 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SNCA P37840 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9832850 0.85 POLB (0.43) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL9381096 0.85 MAPT (0.51) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL10531445 0.85 MAPT (0.51) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL10376118 0.83 HCAR3 (0.53) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL9833023 0.81 POLB (0.43) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL10532543 0.81 MAPT (0.50) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL2488888 0.80 NPSR1 (0.45) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10695938 0.80 MAPT (0.52) MAPTNPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL9832307 0.80 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL10700306 0.77 MAPT (0.51) MAPTNPC1SMN1; SMN2MAPK1RAB9A

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 MAPT 2325/4885NPC1 2360/4885SMN1; 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.