SCHEMBL2736607

SCHEMBL2736607

Cc1cc(SC#N)c(=O)n(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 3/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
USP8 P40818 1/20 0.32
USP5 P45974 1/20 0.32
USP4 Q13107 1/20 0.32
USP7 Q93009 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2736484 0.77 ALDH1A1 (0.34) CYP19A1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL13617004 0.77 CNR2 (0.43) KDM4EUSP2ALDH1A1MAPTL3MBTL1
SCHEMBL25594828 0.73 CYP19A1 (0.36) CYP19A1KDM4EUSP2ALDH1A1MAPT
SCHEMBL16707477 0.71 USP2 (0.44) USP2ALDH1A1MAPTHTTUSP8
SCHEMBL19197220 0.69 BRD4 (0.42) CYP19A1KDM4EALDH1A1MAPTHTT
SCHEMBL16707519 0.69 USP2 (0.39) USP2ALDH1A1MAPTHTTUSP8
SCHEMBL16707476 0.68 USP2 (0.41) USP2ALDH1A1MAPTHTTUSP8
SCHEMBL25595252 0.65 CTSK (0.33) CYP19A1KDM4EUSP2ALDH1A1USP8
SCHEMBL2736479 0.65 DAO (0.46) KDM4EUSP2ALDH1A1MAPTMEN1
SCHEMBL15975183 0.65 GRIA1 (0.36) CYP19A1KDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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 (2 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CYP19A1 793/4885KDM4E 1679/4885USP2 3543/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CYP19A1 3011/4885KDM4E 3245/4885USP2 2264/4885

“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.