SCHEMBL2487015

SCHEMBL2487015

CCCCCN1C(=O)C2(CC2)c2cc(NC(=O)C(F)(F)F)c([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
OPRL1 P41146 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
TACR1 P25103 1/20 0.34
HCAR3 P49019 2/20 0.33
RECQL P46063 1/20 0.33
SCN9A Q15858 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2486593 0.84 PDK1 (0.35) TP53OPRL1SMN1; SMN2LMNAMEN1
SCHEMBL2491117 0.79 OPRL1 (0.43) OPRL1SMN1; SMN2LMNATACR1SCN9A
SCHEMBL2492012 0.78 MPI (0.44) OPRL1SCN9AMAPT
SCHEMBL2490357 0.71 MAPT (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL2489072 0.71 SCN9A (0.42) OPRL1LMNASCN9AMEN1KMT2A
SCHEMBL10698960 0.71 MAPT (0.41) SMN1; SMN2LMNAHCAR3RECQLMEN1
SCHEMBL10696534 0.70 MAPT (0.42) SMN1; SMN2LMNAHCAR3MEN1KMT2A
SCHEMBL10699652 0.70 NPC1 (0.49) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL10699942 0.70 MAPT (0.51) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL10696545 0.70 LMNA (0.38) SMN1; SMN2LMNAHCAR3SCN9AMEN1

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 TP53 45/4885OPRL1 3406/4885SMN1; 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.