SCHEMBL13596339

SCHEMBL13596339

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SCN9A Q15858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NPC1 O15118 3/20 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
SCHEMBL27189238 0.85 RAB9A (0.44) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL13927530 0.84 HTT (0.47) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL13596378 0.84 HTT (0.47) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL6927455 0.83 TAAR1 (0.39) HTTLMNATAAR1HDAC3HDAC4
SCHEMBL13596338 0.83 CYP3A4 (0.46) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL23703855 0.82 KDM4E (0.47) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL15492267 0.82 PARP10 (0.45) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL29799837 0.81 LCK (0.43) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL4407957 0.81 LCK (0.43) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL25107690 0.80 HDAC3 (0.35) RAB9AHTTLMNAMAPK1SCN9A

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 RAB9A 2154/4885HTT 4497/4885LMNA 2635/4885

“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.