SCHEMBL16747993

SCHEMBL16747993

O=C(Nc1cccc2c(=O)c3sc4c(=O)c5cccc(NC(=O)C(F)(F)F)c5c(=O)c4c3c(=O)c12)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KLK7 P49862 1/20 0.48
▸ PARP14 Q460N5 1/20 0.43
▸ AR P10275 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PARP1 P09874 2/20 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
SCHEMBL16745425 0.97 TP53 (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL16747994 0.94 TP53 (0.48) JAK2TP53MAPTHTTKLK7
SCHEMBL16745376 0.94 L3MBTL1 (0.45) JAK2TP53MAPTHTTKLK7
SCHEMBL16745350 0.91 L3MBTL1 (0.43) JAK2TP53MAPTHTTKLK7
SCHEMBL18193064 0.90 TP53 (0.41) JAK2TP53MAPTHTTKLK7
SCHEMBL16745360 0.88 L3MBTL1 (0.45) JAK2TP53MAPTHTTKLK7
SCHEMBL16747995 0.71 NPY5R (0.45) TP53MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16747996 0.71 NPY5R (0.45) TP53MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16747997 0.71 NPY5R (0.45) TP53MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5551553 0.70 HDAC1 (0.70) JAK2TP53MAPTHTTKLK7

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 JAK2 2811/4885TP53 5/4885MAPT 3301/4885

“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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