SCHEMBL640744

SCHEMBL640744

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccc(I)cc43)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CHRM5 P08912 2/20 0.39
CCR5 P51681 2/20 0.36
PKM P14618 1/20 0.35
ACHE P22303 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL640136 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ECHRM5CCR5PKM
SCHEMBL640692 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5SMN1; SMN2
SCHEMBL640296 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5SMN1; SMN2
SCHEMBL641401 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5SMN1; SMN2
SCHEMBL641118 0.90 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5ACHE
SCHEMBL641096 0.90 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5ACHE
SCHEMBL641097 0.90 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5ACHE
SCHEMBL641507 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5SMN1; SMN2
SCHEMBL642438 0.89 DRD2 (0.40) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL641825 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5SMN1; SMN2

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 ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885

“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.