SCHEMBL642820

SCHEMBL642820

CCCN1CCN(CCCNC(=O)C(c2ccccc2)n2c(=O)n(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CCR1 P32246 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTR6 P50406 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL641391 0.96 ALOX12 (0.41) KMT2AALOX12DRD2PPARGPPARA
SCHEMBL3985580 0.95 HTR6 (0.42) KMT2AALOX12DRD2DRD3PPARG
SCHEMBL641542 0.94 DRD2 (0.40) KMT2AALOX12DRD2DRD3PPARG
SCHEMBL641287 0.92 KMT2A (0.46) KMT2AALDH1A1NPC1
SCHEMBL640733 0.92 PPARG (0.40) KMT2AALOX12DRD2DRD3PPARG
SCHEMBL641191 0.91 HTR6 (0.43) KMT2AALOX12PPARGPPARAALDH1A1
SCHEMBL641402 0.90 ALDH1A1 (0.42) KMT2AALOX12PPARGPPARAALDH1A1
SCHEMBL640002 0.89 GAA (0.42) KMT2AALOX12PPARGPPARAKDM4E
SCHEMBL640892 0.88 PPARG (0.44) KMT2APPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL640080 0.88 HTR4 (0.39) KMT2AALOX12PPARGPPARASLC6A2

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 KMT2A 4356/4885ALOX12 2001/4885DRD2 519/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KMT2A 4356/4885ALOX12 2001/4885DRD2 519/4885

“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.