SCHEMBL639986

SCHEMBL639986

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccsc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 6/20 0.34
CCL5 P13501 1/20 0.34
CHRM1 P11229 1/20 0.32
HSD11B1 P28845 1/20 0.30

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
SCHEMBL639985 1.00 MEN1 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2CCR5
SCHEMBL10008024 0.93 CCR5 (0.35) CCR5CCL5CHRM1HSD11B1
SCHEMBL641389 0.93 CCR5 (0.35) CCR5CCL5CHRM1HSD11B1
SCHEMBL640046 0.92 CCR5 (0.36) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL640047 0.92 CCR5 (0.36) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL641241 0.90 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2CCR5
SCHEMBL641240 0.90 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2CCR5
SCHEMBL641118 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CCR5CCL5
SCHEMBL641096 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CCR5CCL5
SCHEMBL641097 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CCR5CCL5

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 MEN1 43/4885ALDH1A1 586/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MEN1 43/4885ALDH1A1 586/4885KMT2A 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.