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SCHEMBL16745353

SCHEMBL16745353

O=c1c2sc3c(=O)c4c(Cl)cccc4c(=O)c3c2c(=O)c2cccc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ DAO P14920 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ TTR P02766 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ TYMS P04818 1/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ AURKA O14965 2/20 0.33
▸ DAPK3 O43293 2/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ RET P07949 2/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CLK2 P49760 2/20 0.33

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
SCHEMBL16745355 0.96 PBRM1 (0.37) CYP1A2CYP2A6PBRM1DAOMIF
SCHEMBL16745368 0.95 PBRM1 (0.36) CYP1A2CYP2A6PBRM1DAOMIF
SCHEMBL16745389 0.92 CYP1A2 (0.39) CYP1A2CYP2A6PBRM1DAOMIF
SCHEMBL16745358 0.91 PBRM1 (0.36) CYP1A2CYP2A6PBRM1DAOMIF
SCHEMBL9310672 0.77 CYP1A2 (0.48) CYP1A2CYP2A6PBRM1DAOTTR
SCHEMBL16745341 0.77 ALDH1A1 (0.44) CYP1A2TTRMCL1TYMSPARP1
SCHEMBL16745356 0.77 MAOA (0.49) CYP1A2MAPK1CDK2PARP1KDM4E
SCHEMBL11372514 0.75 CYP1A2 (0.46) CYP1A2CYP2A6DAOMIFTTR
SCHEMBL29906291 0.74 S100A4 (0.42) CYP1A2KDM4E
SCHEMBL15551462 0.74 S100A4 (0.42) CYP1A2KDM4E

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 4 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-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
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 CYP1A2 2128/4885CYP2A6 2181/4885PBRM1 1375/4885

“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.