SCHEMBL4386307

SCHEMBL4386307

O=C(O)Cc1ccccc1Sc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
GFER P55789 2/20 0.54
HPGD P15428 3/20 0.50
CYP2C9 P11712 2/20 0.50
STAT3 P40763 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4386796 0.87 STAT3 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30832961 0.87 STAT3 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4388703 0.84 PKM (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4388147 0.84 GFER (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4438683 0.81 CYP2C9 (0.69) HPGDCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL737610 0.79 GFER (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27710581 0.79 MAPT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4389790 0.78 CYP1A2 (0.67) GFERHPGDCYP2C19ALDH1A1KDM4E
SCHEMBL4396076 0.78 CYP1A2 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indole-3-Acetic Acid SCHEMBL26344 0.78 MEN1 (0.75) HPGDCYP2C9CYP2C19ALDH1A1KDM4E

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 6 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
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO 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 TUBB4A 86/4885TUBB 215/4885TUBA3C 547/4885

“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.