SCHEMBL13596353

SCHEMBL13596353

COc1cc(F)c(C(=O)CC(C)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP3A4 P08684 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
STAT3 P40763 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL13596350 0.85 CYP3A4 (0.44) IDO1TDO2CYP3A4NPC1HDAC3
SCHEMBL16920751 0.85 IDO1 (0.40) IDO1TDO2CYP3A4TAAR1NPC1
SCHEMBL13927530 0.82 HTT (0.47) SCN9ACYP3A4MTNR1AMTNR1BTAAR1
SCHEMBL23703855 0.80 KDM4E (0.47) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13596378 0.78 HTT (0.47) NPC1ALDH1A1
SCHEMBL15492267 0.77 PARP10 (0.45) TAAR1ALDH1A1
SCHEMBL13596339 0.77 RAB9A (0.39) SCN9ACYP3A4TAAR1NPC1ALOX5
SCHEMBL25107690 0.75 HDAC3 (0.35) SCN9AMTNR1AMTNR1BNPC1PTGES
SCHEMBL17184697 0.73 KDM4E (0.51) ALDH1A1KMT2A
SCHEMBL12375157 0.71 HTT (0.47) CYP3A4MTNR1AMTNR1BALDH1A1KMT2A

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-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 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-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 SCN9A 3636/4885IDO1 208/4885TDO2 1508/4885

“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.