SCHEMBL13222017

SCHEMBL13222017

COC(OC)C(C)(CN=O)SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PRMT1 Q99873 1/20 0.45
S100A4 P26447 1/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LAP3 P28838 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ACE P12821 2/20 0.31
IDO1 P14902 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2655235 0.80 CYP1A2 (0.57) CYP2D6CYP1A2CYP3A4PRMT1ALDH1A1
SCHEMBL2668682 0.77 CYP1A2 (0.40) CYP2D6CYP1A2CYP3A4PRMT1LMNA
SCHEMBL13348421 0.69 CYP2D6 (0.46) CYP2D6CYP1A2CYP3A4PRMT1LMNA
SCHEMBL10920937 0.67 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4PRMT1LMNA
SCHEMBL5680420 0.65 CYP2D6 (0.63) CYP2D6CYP1A2CYP3A4PRMT1S100A4
SCHEMBL2668750 0.64 L3MBTL1 (0.37) CYP1A2S100A4LMNAPPARGPPARA
SCHEMBL1654642 0.63 CYP1A2 (1.00) CYP2D6CYP1A2CYP3A4PRMT1LMNA
SCHEMBL8463105 0.63 TRPA1 (0.53) CYP2D6CYP1A2CYP3A4LMNAPPARG
SCHEMBL10136448 0.63 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4PRMT1S100A4
SCHEMBL9800583 0.62 CYP2D6 (0.59) CYP2D6CYP1A2CYP3A4PRMT1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 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 (3 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 CYP2D6 251/4885CYP1A2 404/4885CYP3A4 381/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 CYP2D6 251/4885CYP1A2 404/4885CYP3A4 381/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 CYP2D6 251/4885CYP1A2 404/4885CYP3A4 381/4885

“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.