SCHEMBL365582

SCHEMBL365582

Cc1cc(C(=O)CC(c2ccc(Br)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
GPBAR1 Q8TDU6 4/20 0.45
PROKR1 Q8TCW9 1/20 0.39
MGAM O43451 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
POLB P06746 2/20 0.38
KCNH2 Q12809 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SORT1 Q99523 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
SCHEMBL363250 1.00 KMT2A (0.46) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL365581 1.00 KMT2A (0.46) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL1390415 0.90 GPBAR1 (0.46) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL362865 0.90 GPBAR1 (0.55) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL1390416 0.90 GPBAR1 (0.46) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL1390696 0.90 GPBAR1 (0.49) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL370167 0.90 GPBAR1 (0.49) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL364444 0.90 GPBAR1 (0.45) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL1390441 0.89 KMT2A (0.43) KMT2AGPBAR1PROKR1MGAMGAA
SCHEMBL1390442 0.89 KMT2A (0.43) KMT2AGPBAR1PROKR1MGAMGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 KMT2A 3981/4885GPBAR1 1/4885PROKR1 242/4885

“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.