SCHEMBL13596338

SCHEMBL13596338

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL11724513 0.92 CYP3A4 (0.46) CYP3A4KMT2AMEN1GAAKDM4E
SCHEMBL6927455 0.88 TAAR1 (0.39) CYP3A4KMT2AMEN1KDM4ENPSR1
SCHEMBL12515330 0.87 CYP3A4 (0.52) CYP3A4KMT2AMEN1GAAKDM4E
SCHEMBL3651991 0.85 CYP3A4 (0.61) CYP3A4KMT2AMEN1KDM4EALDH1A1
SCHEMBL8902778 0.85 CYP3A4 (0.54) CYP3A4KMT2AMEN1GAAKDM4E
SCHEMBL12444082 0.84 CYP3A4 (0.41) CYP3A4KMT2AMEN1GAAKDM4E
SCHEMBL13596339 0.83 RAB9A (0.39) CYP3A4KMT2AMEN1GAAKDM4E
SCHEMBL13596372 0.82 ALDH1A1 (0.56) CYP3A4KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL9417797 0.82 CYP3A4 (0.52) CYP3A4KMT2AMEN1KDM4EHDAC3
SCHEMBL11807436 0.81 GAA (0.47) CYP3A4KMT2AMEN1GAAKDM4E

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 CYP3A4 2/4885KMT2A 975/4885MEN1 3040/4885

“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.