SCHEMBL641391

SCHEMBL641391

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 4/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HTR6 P50406 1/20 0.39
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
DRD4 P21917 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC6A2 P23975 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
SCHEMBL642820 0.96 KMT2A (0.41) ALOX12KMT2APPARGPPARASMN1; SMN2
SCHEMBL641191 0.95 HTR6 (0.43) ALOX12MEN1KMT2ALMNAPPARG
SCHEMBL641402 0.94 ALDH1A1 (0.42) ALOX12MEN1KMT2ALMNAPPARG
SCHEMBL640002 0.93 GAA (0.42) ALOX12MEN1KMT2ALMNAPPARG
SCHEMBL640080 0.92 HTR4 (0.39) ALOX12MEN1KMT2ALMNAPPARG
SCHEMBL3985580 0.91 HTR6 (0.42) ALOX12KMT2APPARGPPARAALDH1A1
SCHEMBL641542 0.90 DRD2 (0.40) ALOX12KMT2ALMNAPPARGPPARA
SCHEMBL641517 0.90 MMP13 (0.40) ALOX12MEN1KMT2ALMNAALDH1A1
SCHEMBL640733 0.88 PPARG (0.40) ALOX12KMT2APPARGPPARAALDH1A1
SCHEMBL641287 0.88 KMT2A (0.46) MEN1KMT2AALDH1A1POLB

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 ALOX12 2001/4885MEN1 43/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALOX12 2001/4885MEN1 43/4885KMT2A 4356/4885

“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.