SCHEMBL16747995

SCHEMBL16747995

O=C(Nc1ccc2c(=O)c3sc4c(=O)c5ccc(NC(=O)C(F)(F)F)cc5c(=O)c4c3c(=O)c2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MTNR1B P49286 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL16747997 1.00 NPY5R (0.45) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16747996 1.00 NPY5R (0.45) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16745397 0.94 L3MBTL1 (0.55) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16745414 0.92 TP53 (0.46) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16745417 0.92 TP53 (0.46) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16747888 0.86 CYP1A2 (0.38) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16747882 0.86 CYP1A2 (0.38) NPY5RSMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL16745425 0.72 TP53 (0.46) NPY5RCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL16747993 0.71 JAK2 (0.48) NPY5RCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL16747994 0.71 TP53 (0.48) NPY5RCYP1A2CYP2C9CYP2C19L3MBTL1

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-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 — — US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 — — 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-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS SDHA, KLK3, BRDT NPY5R 4677/4885SMN1; SMN2 2167/4885GAA 2100/4885

“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.

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