SCHEMBL641344

SCHEMBL641344

N#Cc1ccc2[nH]c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
ROCK2 O75116 3/20 0.38
CYP3A4 P08684 2/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
LRRK2 Q5S007 1/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MGLL Q99685 1/20 0.35
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 0.86 LMNA (0.43) F10F2PRSS1ROCK2CYP3A4
SCHEMBL642096 0.86 F10 (0.42) F10F2PRSS1ROCK2CYP3A4
SCHEMBL639530 0.86 P2RX7 (0.45) F10F2PRSS1TRPV1P2RX7
SCHEMBL641801 0.84 F10 (0.42) F10F2PRSS1ROCK2CYP3A4
SCHEMBL641839 0.82 MDM2 (0.45) F10F2PRSS1ROCK2CYP3A4
SCHEMBL641143 0.80 F10 (0.44) F10CYP3A4P2RX7MGLLCALCRL
SCHEMBL639582 0.79 PGR (0.42) MGLLPOLB
SCHEMBL639653 0.79 F10 (0.39) F10F2PRSS1CYP3A4TRPV1
SCHEMBL641386 0.76 MAPT (0.45) F10F2PRSS1CYP3A4P2RX7
SCHEMBL639658 0.76 KMT2A (0.49) ROCK2CYP3A4LMNAGAAMAPT

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
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

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 F10 276/4885F2 47/4885PRSS1 410/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885F2 47/4885PRSS1 410/4885

“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.