Sugi Predict

Sugi Predict / Compounds / SCHEMBL642111

SCHEMBL642111

SCHEMBL642111

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC(CN4CCN(C(C)C)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.38
▸ MGLL Q99685 3/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ CCR6 P51684 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL642109 1.00 CHRM5 (0.38) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL642110 1.00 CHRM5 (0.38) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641679 0.93 CHRM5 (0.39) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641572 0.93 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641574 0.93 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641678 0.93 CHRM5 (0.39) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641573 0.93 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL641680 0.93 CHRM5 (0.39) CHRM5MGLLHCRTR1HCRTR2PRMT5
SCHEMBL640054 0.92 ALDH1A1 (0.42) PRMT5WDR77MMP1MMP9MMP13
SCHEMBL640055 0.92 ALDH1A1 (0.42) PRMT5WDR77MMP1MMP9MMP13

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 CHRM5 702/4885MGLL 3620/4885HCRTR1 951/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM5 702/4885MGLL 3620/4885HCRTR1 951/4885

“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.