SCHEMBL4386796

SCHEMBL4386796

NC(=O)Cc1ccccc1Sc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.59
GFER P55789 2/20 0.56
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
IDO1 P14902 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL30832961 1.00 STAT3 (0.59) STAT3GFERGAANPSR1IDO1
SCHEMBL4386307 0.87 TUBB4A (0.54) STAT3GFERGAANPSR1TUBB4A
SCHEMBL4388703 0.83 PKM (0.50) STAT3GFERIDO1TUBB4ATUBB
SCHEMBL4388147 0.83 GFER (0.49) STAT3GFERNPSR1TUBB4ATUBB
SCHEMBL737610 0.81 GFER (0.64) STAT3GFERIDO1TUBB4ATUBB
SCHEMBL29376364 0.79 MAPT (0.68) STAT3GAANPSR1ALDH1A1ATM
SCHEMBL40822 0.79 MAPT (0.68) STAT3GAANPSR1ALDH1A1ATM
SCHEMBL3262116 0.79 MAPT (0.68) STAT3GAANPSR1ALDH1A1ATM
SCHEMBL1399365 0.78 HTR2A (0.61) STAT3GFERIDO1TUBB4ATUBB
SCHEMBL27710581 0.77 MAPT (0.53) STAT3GFERIDO1TUBB4ATUBB

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
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
CN-101238101-A 2-(1H-indolylsulfanyl)-aryl amine derivatives LUNDBECK & CO AS H (DK) 2008-08-06 CN disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 STAT3 4166/4885GFER 4340/4885GAA 1855/4885

“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.