SCHEMBL16745341

SCHEMBL16745341

Nc1cccc2c(=O)c3c(sc4c(=O)c5c(N)cccc5c(=O)c43)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 3/20 0.36
PARP1 P09874 5/20 0.35
RECQL P46063 2/20 0.35
S100A4 P26447 1/20 0.35
KEAP1 Q14145 2/20 0.34
JAK2 O60674 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MELK Q14680 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
BLM P54132 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL16745345 0.96 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL16745347 0.95 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL16745339 0.92 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL16745349 0.91 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL18193068 0.90 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL18193063 0.87 ALDH1A1 (0.36) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL1286271 0.77 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL16745356 0.77 MAOA (0.49) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL16745353 0.77 CYP1A2 (0.39) PARP1JAK2RPS6KA3KDM4EMET
SCHEMBL15551462 0.74 S100A4 (0.42) ALDH1A1CYP3A4HPGDHSD17B10POLB

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 ALDH1A1 447/4885TDP1 1517/4885CYP3A4 3064/4885

“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.