SCHEMBL641839

SCHEMBL641839

O=C(C(c1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.45
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F10 P00742 3/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
AKR1C3 P42330 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
ROCK2 O75116 1/20 0.39

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 0.94 LMNA (0.43) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL641801 0.90 F10 (0.42) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL639530 0.89 P2RX7 (0.45) LMNATSHRF10F2PRSS1
SCHEMBL642096 0.84 F10 (0.42) LMNATSHRCYP3A4F10F2
SCHEMBL639658 0.82 KMT2A (0.49) LMNAMAPK1NPSR1CYP3A4MEN1
SCHEMBL643017 0.82 ROCK2 (0.52) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL641344 0.82 F10 (0.40) LMNATSHRCYP3A4F10F2
SCHEMBL642674 0.80 RBP4 (0.42) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL641609 0.78 CHRM1 (0.49) MDM2F10
SCHEMBL641842 0.78 MAPT (0.52) MDM2LMNAMAPK1NPSR1CYP3A4

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 MDM2 1402/4885LMNA 886/4885TSHR 498/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MDM2 1402/4885LMNA 886/4885TSHR 498/4885

“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.