SCHEMBL16747888

SCHEMBL16747888

O=C(Nc1ccc2c(=O)c3sc4c(=O)c5cc(N=COC(F)(F)F)ccc5c(=O)c4c3c(=O)c2c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPY5R Q15761 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MTNR1B P49286 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL16747882 1.00 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16747997 0.86 NPY5R (0.45) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16747995 0.86 NPY5R (0.45) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16747996 0.86 NPY5R (0.45) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16745397 0.81 L3MBTL1 (0.55) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16745417 0.80 TP53 (0.46) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16745414 0.80 TP53 (0.46) CYP1A2CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL16745425 0.62 TP53 (0.46) CYP1A2CYP2C9CYP2C19NPY5RL3MBTL1
SCHEMBL16747993 0.62 JAK2 (0.48) CYP1A2CYP2C9CYP2C19NPY5RL3MBTL1
SCHEMBL16747994 0.62 TP53 (0.48) CYP1A2CYP2C9CYP2C19NPY5RL3MBTL1

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 CYP1A2 2128/4885CYP2C9 3400/4885CYP2C19 3404/4885

“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.

Send feedback