SCHEMBL640609

SCHEMBL640609

COc1ccccc1C(C(=O)N1CCN(c2ccncc2)CC1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.47
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.40
CHRM1 P11229 2/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
HTR7 P34969 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
SCHEMBL639890 0.89 MAPT (0.49) AVPR1BMAPTSMN1; SMN2MAPK1ALOX15
SCHEMBL640723 0.86 AVPR1B (0.43) AVPR1BMAPTMAPK1TSHRALDH1A1
SCHEMBL639781 0.86 ALDH1A1 (0.42) AVPR1BMAPTSMN1; SMN2MAPK1ALOX15
SCHEMBL640845 0.85 AVPR1B (0.42) AVPR1BMAPTSMN1; SMN2ALOX15TSHR
SCHEMBL641077 0.85 CHRM1 (0.40) AVPR1BMAPTMAPK1ALOX15TSHR
SCHEMBL641447 0.82 AVPR1B (0.38) AVPR1BALOX15TSHRCHRM1
SCHEMBL640097 0.82 MAPT (0.50) MAPTSMN1; SMN2MAPK1ALOX15TSHR
SCHEMBL642642 0.80 POLB (0.39) AVPR1BMAPTSMN1; SMN2MAPK1ALOX15
SCHEMBL643060 0.80 AVPR1B (0.42) AVPR1BMAPTMAPK1TSHRALDH1A1
SCHEMBL641386 0.79 MAPT (0.45) AVPR1BMAPTSMN1; SMN2MAPK1ALOX15

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 AVPR1B 2/4885MAPT 4368/4885SMN1; SMN2 3474/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885MAPT 4368/4885SMN1; SMN2 3474/4885

“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.