SCHEMBL16745397

SCHEMBL16745397

CC(=O)Nc1ccc2c(=O)c3c(sc4c(=O)c5cc(NC(=O)C(F)(F)F)ccc5c(=O)c43)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NPY5R Q15761 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ MTNR1B P49286 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ HPGD P15428 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
SCHEMBL16747995 0.94 NPY5R (0.45) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16747996 0.94 NPY5R (0.45) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16747997 0.94 NPY5R (0.45) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16745414 0.89 TP53 (0.46) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16745417 0.89 TP53 (0.46) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16747888 0.81 CYP1A2 (0.38) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16747882 0.81 CYP1A2 (0.38) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL16745350 0.73 L3MBTL1 (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL16745376 0.72 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1
SCHEMBL16745360 0.72 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19HDAC1

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 L3MBTL1 1229/4885NPY5R 4677/4885SMN1; SMN2 2167/4885

“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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