SCHEMBL17779679

SCHEMBL17779679

COC(=O)c1cc(O)c2cc(-c3ccc(CN)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
CDK2 P24941 6/20 0.42
HDAC1 Q13547 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MMP13 P45452 1/20 0.39
EGFR P00533 1/20 0.38
ERN1 O75460 1/20 0.38
LCK P06239 1/20 0.37
MELK Q14680 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL19270622 0.86 NOS3 (0.41) CDK2HDAC1NOS3NOS1NOS2
SCHEMBL2903370 0.82 ALDH1A1 (0.43) LCK
SCHEMBL2908877 0.78 GAA (0.50) LCK
SCHEMBL2935296 0.77 GABRP (0.48) LCK
SCHEMBL2901596 0.76 ACHE (0.38) HDAC1LCK
SCHEMBL2909497 0.76 GAA (0.43) LCK
SCHEMBL20606425 0.75 SMN1; SMN2 (0.52) CDK2
SCHEMBL2908530 0.75 PLA2G2A (0.50) LCKPLA2G2A
SCHEMBL2908784 0.75 PLA2G2A (0.51) LCKPLA2G2A
SCHEMBL17769119 0.75 L3MBTL1 (0.57) MMP13LCK

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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 US disclosed
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 US disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 WO 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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU LOXL2 3262/4885CDK2 4599/4885HDAC1 2781/4885

“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.