SCHEMBL3116533

SCHEMBL3116533

c1cn(Cc2ccsc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.58
TAAR1 Q96RJ0 1/20 0.37
HTR1A P08908 1/20 0.36
CYP1A1 P04798 1/20 0.34
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13201552 0.78 CYP19A1 (0.80) CYP19A1HTR1A
SCHEMBL155247 0.73 CYP19A1 (1.00) CYP19A1CYP1A1MAPTL3MBTL1
SCHEMBL4564456 0.72 CYP19A1 (0.69) CYP19A1HTR1AALDH1A1
Hydrochloric Acid SCHEMBL7263772 0.72 CYP19A1 (0.96) CYP19A1CYP1A1MAPTL3MBTL1
SCHEMBL29820095 0.72 CYP19A1 (0.69) CYP19A1
SCHEMBL6881194 0.70 CYP19A1 (0.67) CYP19A1HTR1A
SCHEMBL16129814 0.70 CYP19A1 (0.67) CYP19A1HTR1A
SCHEMBL10194241 0.70 CYP19A1 (0.67) CYP19A1HTR1AMEN1ALDH1A1MAPT
SCHEMBL3153071 0.70 CYP19A1 (0.67) CYP19A1HTR1AALDH1A1MAPT
SCHEMBL29820189 0.70 CYP19A1 (0.67) CYP19A1HTR1AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 CYP19A1 598/4885TAAR1 502/4885HTR1A 34/4885

“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.