SCHEMBL10326656

SCHEMBL10326656

CN1C(=O)[C@@H](Cc2ccccc2)NC12CCCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.45
PLA2G5 P39877 2/20 0.45
HDAC8 Q9BY41 2/20 0.42
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CXCR3 P49682 1/20 0.39
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10327298 1.00 PLA2G10 (0.45) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL10326470 1.00 PLA2G10 (0.45) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL3917588 0.83 PLA2G10 (0.39) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL4041207 0.81 PLA2G10 (0.38) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL4016339 0.79 PLA2G10 (0.49) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL3003268 0.79 PLA2G10 (0.49) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL10326657 0.79 PLA2G10 (0.49) PLA2G10PLA2G5HDAC8GAAPOLB
SCHEMBL4041320 0.79 PLA2G10 (0.38) PLA2G10PLA2G5HDAC8GAACXCR3
SCHEMBL1801279 0.79 ALDH1A1 (0.39) PLA2G10PLA2G5GAATACR1ALDH1A1
SCHEMBL3927073 0.79 DPP7 (0.50) GAAALDH1A1KMT2A

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-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 PLA2G10 2953/4885PLA2G5 806/4885HDAC8 1451/4885

“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.