Sugi Predict

Sugi Predict / Compounds / SCHEMBL3340836

SCHEMBL3340836

SCHEMBL3340836

COc1ccc(S(=O)(=O)n2c(=O)n([C@H](C(=O)N3CC[CH]C3C(N)=O)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ CHRM5 P08912 2/20 0.34
▸ CCR6 P51684 3/20 0.34
▸ GP6 Q9HCN6 3/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 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
SCHEMBL3338515 0.86 HCRTR1 (0.37) HCRTR1HCRTR2PRMT5WDR77HTR6
SCHEMBL641893 0.84 HCRTR1 (0.40) HCRTR1HCRTR2PRMT5WDR77CHRM5
SCHEMBL639664 0.83 HCRTR1 (0.39) HCRTR1HCRTR2PRMT5WDR77HTR6
SCHEMBL639854 0.83 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL639700 0.83 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL639699 0.83 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL641102 0.81 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL640384 0.81 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL641101 0.81 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6MGLL
SCHEMBL641338 0.79 CCR6 (0.40) HCRTR1HCRTR2PRMT5WDR77CHRM5

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 5 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-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 HCRTR1 951/4885HCRTR2 641/4885PRMT5 855/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885PRMT5 855/4885

“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.