Sugi Predict

Sugi Predict / Compounds / SCHEMBL640232

SCHEMBL640232

SCHEMBL640232

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3)c3cc(Cl)c(Cl)cc32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HRH1 P35367 2/20 0.38
▸ CCR3 P51677 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL640222 0.93 KMT2A (0.38) ALDH1A1MAPK1KMT2AHRH1CCR3
SCHEMBL640986 0.93 KMT2A (0.38) ALDH1A1MAPK1KMT2AHRH1CCR3
SCHEMBL642071 0.93 CHRM2 (0.39) ALDH1A1MAPK1KMT2ACHRM2HPGD
SCHEMBL641819 0.90 CHRM2 (0.38) ALDH1A1MAPK1KMT2AHRH1CCR3
SCHEMBL641494 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AHRH1CCR3CHRM2
SCHEMBL639686 0.90 CHRM2 (0.41) ALDH1A1MAPK1KMT2ACHRM2HPGD
SCHEMBL640967 0.88 AVPR1B (0.37) ALDH1A1MAPK1KMT2ACHRM2HPGD
SCHEMBL640137 0.86 KMT2A (0.38) ALDH1A1MAPK1KMT2AHRH1CCR3
SCHEMBL642038 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ACHRM2F10KDM4E
SCHEMBL641894 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ACHRM2F10KDM4E

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 586/4885MAPK1 2454/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885MAPK1 2454/4885KMT2A 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.