SCHEMBL641241

SCHEMBL641241

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4cccs4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
CCR5 P51681 7/20 0.34
MAPK1 P28482 2/20 0.34
CCL5 P13501 1/20 0.34
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL641240 1.00 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2TSHR
SCHEMBL641389 0.92 CCR5 (0.35) CCR5CCL5CHRM1HSD11B1
SCHEMBL10008024 0.92 CCR5 (0.35) CCR5CCL5CHRM1HSD11B1
SCHEMBL640046 0.91 CCR5 (0.36) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL640047 0.91 CCR5 (0.36) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL639986 0.90 MEN1 (0.34) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL639985 0.90 MEN1 (0.34) ALDH1A1SMN1; SMN2CCR5CCL5CHRM1
SCHEMBL641987 0.88 PAX8 (0.35) PKMPOLBCCR5CCL5CHRM1
SCHEMBL640693 0.88 PAX8 (0.35) PKMPOLBCCR5CCL5CHRM1
SCHEMBL641096 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CCR5CCL5HTT

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 ALDH1A1 586/4885L3MBTL1 3180/4885MAPT 4368/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885L3MBTL1 3180/4885MAPT 4368/4885

“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.