SCHEMBL4396076

SCHEMBL4396076

O=C(Cc1ccccc1Sc1c[nH]c2ccccc12)N1CCSCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.43
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
MEN1 O00255 2/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
STAT3 P40763 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40

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
SCHEMBL4389790 0.87 CYP1A2 (0.67) CYP1A2CYP2C19CYP3A4ALDH1A1LMNA
SCHEMBL4387260 0.78 HTR2A (0.52) ALDH1A1GFERCYP2D6TUBB4ATUBB
SCHEMBL4386307 0.78 TUBB4A (0.54) CYP2C19ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL30832961 0.77 STAT3 (0.59) ALDH1A1LMNASMN1; SMN2KMT2AGFER
SCHEMBL4386796 0.77 STAT3 (0.59) ALDH1A1LMNASMN1; SMN2KMT2AGFER
SCHEMBL4985881 0.77 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4ALDH1A1LMNA
SCHEMBL20887180 0.74 KMT2A (0.64) KMT2AMEN1MAPT
SCHEMBL4388147 0.74 GFER (0.49) CYP2C19CYP3A4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4388703 0.74 PKM (0.50) ALDH1A1LMNASMN1; SMN2KMT2AGFER
SCHEMBL1850843 0.72 KMT2A (0.69) ALDH1A1LMNAHTTSMN1; SMN2KMT2A

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 3 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
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 CYP1A2 2/4885CYP2C19 78/4885CYP3A4 33/4885

“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.