SCHEMBL2080239

SCHEMBL2080239

CCOC(=O)c1nc(-c2ccccc2)sc1N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
TRPM8 Q7Z2W7 3/20 0.54
CDC7 O00311 2/20 0.54
DBF4 Q9UBU7 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3435775 0.82 MAOB (0.48) MEN1KMT2AGAATSHRCDC7
SCHEMBL6336435 0.80 CDC7 (0.62) MEN1KMT2AGAATSHRTRPM8
SCHEMBL2880217 0.79 RARA (0.66) MEN1KMT2AGAATRPM8CDC7
SCHEMBL29660327 0.79 P2RY12 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL20580211 0.79 ALDH1A1 (0.52) MEN1KMT2ACDC7DBF4L3MBTL1
SCHEMBL20785682 0.78 TRPM8 (0.63) MEN1KMT2AGAATRPM8CDC7
SCHEMBL2884433 0.78 L3MBTL1 (0.48) MEN1KMT2AGAATSHRTRPM8
SCHEMBL12049695 0.77 TRPM8 (0.61) MEN1KMT2AGAATRPM8CDC7
SCHEMBL2078743 0.77 TRPM8 (0.61) MEN1KMT2AGAATRPM8CDC7
SCHEMBL717443 0.77 TRPM8 (0.61) MEN1KMT2AGAATRPM8CDC7

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MEN1 4778/4885KMT2A 1707/4885GAA 3904/4885

“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.