SCHEMBL371236

SCHEMBL371236

Cc1cc(Cl)ccc1[C@H](CC(=NO)c1ccnc(CO)c1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.46
KMT2A Q03164 1/20 0.33
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL371235 1.00 GPBAR1 (0.46) GPBAR1KMT2APROKR1
SCHEMBL371237 1.00 GPBAR1 (0.46) GPBAR1KMT2APROKR1
SCHEMBL363783 1.00 GPBAR1 (0.46) GPBAR1KMT2APROKR1
SCHEMBL365143 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL1389708 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL1389702 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL1389700 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL363424 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL1389709 0.89 GPBAR1 (0.57) GPBAR1KMT2APROKR1
SCHEMBL1390441 0.86 KMT2A (0.43) GPBAR1KMT2APROKR1

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 6 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
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
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 GPBAR1 1/4885KMT2A 3981/4885PROKR1 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.