SCHEMBL16745401

SCHEMBL16745401

O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3cc(Cl)ccc3c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TOP1 P11387 1/20 0.39
TOP2A P11388 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
AHR P35869 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
PDE10A Q9Y233 1/20 0.35
PARP1 P09874 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL16745391 1.00 KDM4E (0.51) KDM4ETOP1TOP2ACYP1A1CYP1A2
SCHEMBL16745393 0.95 KDM4E (0.43) KDM4ETOP1TOP2APARP1S100A4
SCHEMBL16745412 0.95 KDM4E (0.43) KDM4ETOP1TOP2APARP1S100A4
SCHEMBL16745403 0.95 KDM4E (0.43) KDM4ETOP1TOP2APARP1S100A4
SCHEMBL18193059 0.85 KDM4E (0.37) KDM4ECYP1A2ADORA3MEN1KMT2A
SCHEMBL18193058 0.85 KDM4E (0.37) KDM4ECYP1A2ADORA3MEN1KMT2A
SCHEMBL18193060 0.85 KDM4E (0.37) KDM4ECYP1A2ADORA3MEN1KMT2A
SCHEMBL15551462 0.83 S100A4 (0.42) KDM4ECYP1A2S100A4MAOAMAOB
SCHEMBL29906291 0.83 S100A4 (0.42) KDM4ECYP1A2S100A4MAOAMAOB
SCHEMBL18193053 0.80 MAOA (0.37) KDM4ECYP1A1CYP1A2CYP1B1S100A4

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 KDM4E 2358/4885TOP1 31/4885TOP2A 8/4885

“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.