SCHEMBL3338515

SCHEMBL3338515

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3C[CH]CC3C(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
HTR6 P50406 3/20 0.36
GP6 Q9HCN6 3/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CHRM5 P08912 1/20 0.33
CCR6 P51684 2/20 0.33
MMP8 P22894 2/20 0.32
MMP3 P08254 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
STAT1 P42224 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 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
SCHEMBL3340836 0.86 HCRTR1 (0.37) HCRTR1HCRTR2HTR6GP6PRMT5
SCHEMBL639664 0.83 HCRTR1 (0.39) HCRTR1HCRTR2HTR6PRMT5WDR77
SCHEMBL641893 0.82 HCRTR1 (0.40) HCRTR1HCRTR2PRMT5WDR77CHRM5
SCHEMBL639700 0.81 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6FNTA
SCHEMBL639854 0.81 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6FNTA
SCHEMBL639699 0.81 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5CCR6FNTA
SCHEMBL640384 0.80 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6
SCHEMBL641102 0.80 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6
SCHEMBL641101 0.80 HCRTR1 (0.41) HCRTR1HCRTR2CHRM5CCR6
SCHEMBL641338 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 641/4885HTR6 826/4885

“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.