SCHEMBL2736484

SCHEMBL2736484

CSc1cc(C)c(C)n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD7 Q9NPI1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOX4 Q9NPH5 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CYP19A1 P11511 2/20 0.30
BRPF1 P55201 1/20 0.30
NQO2 P16083 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
SCHEMBL2736607 0.77 CYP19A1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDCYP19A1
SCHEMBL19197220 0.75 BRD4 (0.42) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL2736488 0.70 BRD4 (0.33) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL2736479 0.70 DAO (0.46) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL15975183 0.70 GRIA1 (0.36) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL2736524 0.70 ATAD2 (0.45) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL2736480 0.68 CYP19A1 (0.46) L3MBTL1BRD4BRD2BRD9BRD7
SCHEMBL22016198 0.67 CRHR1 (0.38) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL22017498 0.66 DAO (0.59) ALDH1A1L3MBTL1BRD4BRD9KDM4E
SCHEMBL3372808 0.66 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2

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
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-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 ALDH1A1 3078/4885L3MBTL1 4225/4885BRD4 152/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ALDH1A1 3580/4885L3MBTL1 3630/4885BRD4 446/4885

“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.