SCHEMBL641842

SCHEMBL641842

O=C(C(Cc1ccccc1)n1c(=O)[nH]c2ccc(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
MDM2 Q00987 4/20 0.49
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL640665 0.84 LMNA (0.43) LMNANPSR1MAPK1ROCK2CYP3A4
SCHEMBL640092 0.82 AKR1C3 (0.45) MAPTTP53ROCK2CYP3A4ALOX5
SCHEMBL640608 0.81 MDM2 (0.65) MAPTHTTLMNANPSR1GAA
SCHEMBL642674 0.78 RBP4 (0.42) MAPTLMNAGAAMAPK1SMN1; SMN2
SCHEMBL641839 0.78 MDM2 (0.45) LMNANPSR1MDM2MAPK1ROCK2
SCHEMBL641152 0.76 F10 (0.48) MAPTHTTSMN1; SMN2TP53POLB
SCHEMBL639658 0.76 KMT2A (0.49) MAPTHTTLMNANPSR1GAA
SCHEMBL643017 0.75 ROCK2 (0.52) MAPTLMNANPSR1GAAMAPK1
SCHEMBL641801 0.75 F10 (0.42) MAPTLMNANPSR1GAAMAPK1
SCHEMBL642325 0.75 MAPT (0.49) MAPTHTTLMNANPSR1GAA

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
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPT 4368/4885HTT 3011/4885LMNA 886/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPT 4368/4885HTT 3011/4885LMNA 886/4885

“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.