SCHEMBL16745385

SCHEMBL16745385

Nc1ccc2c(=O)c3c(sc4c(=O)c5ccccc5c(=O)c43)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 6/20 0.40
KMT2A Q03164 5/20 0.40
MAPK1 P28482 2/20 0.40
PARP1 P09874 2/20 0.40
S100A4 P26447 2/20 0.40
GFER P55789 1/20 0.38
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPRC P08575 2/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34

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
SCHEMBL16745380 1.00 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL16745388 0.95 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL16745384 0.95 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL16745382 0.95 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL16745413 0.85 NPC1 (0.35) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL18193056 0.85 NPC1 (0.35) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL18193055 0.85 NPC1 (0.35) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL15551462 0.83 S100A4 (0.42) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29906291 0.83 S100A4 (0.42) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL18193053 0.80 MAOA (0.37) RAB9ASMN1; SMN2ALDH1A1MAPTHPGD

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 RAB9A 2471/4885SMN1; SMN2 2167/4885ALDH1A1 447/4885

“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.