SCHEMBL2486706

SCHEMBL2486706

CN1C(=O)C(C)(C)c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PKM P14618 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX7 Q99572 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL2490128 0.82 MAPT (0.61) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL5563212 0.80 RECQL (0.42) LMNAMAPTL3MBTL1TP53KMT2A
SCHEMBL10696897 0.76 L3MBTL1 (0.51) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL10693972 0.71 NPC1 (0.41) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL2492692 0.71 MPI (0.48) LMNAMAPTALDH1A1PKMTP53
SCHEMBL10710938 0.71 TP53 (0.43) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6170314 0.70 KMT2A (0.61) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL6170461 0.70 L3MBTL1 (0.53) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL2490357 0.70 MAPT (0.56) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL10695330 0.70 MPI (0.39) LMNANPC1RAB9AMAPTALDH1A1

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 LMNA 2554/4885NPC1 2360/4885RAB9A 2329/4885

“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.