SCHEMBL370112

SCHEMBL370112

Cn1cc(C(=O)CC(c2ccc(C(=O)NC3CCOCC3)c(F)c2)c2ccccc2Cl)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
P2RX7 Q99572 2/20 0.39
IDH1 O75874 1/20 0.39
MAPK1 P28482 8/20 0.37
DGAT2 Q96PD7 1/20 0.36
MET P08581 1/20 0.36
P2RX3 P56373 1/20 0.35
RPS6KA1 Q15418 2/20 0.35
DHODH Q02127 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
RORC P51449 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
SCHEMBL1390392 0.95 HPGD (0.39) BRD4P2RX7
SCHEMBL368971 0.92 F9 (0.36) BRD4IDH1DGAT2RORC
SCHEMBL1390395 0.92 BRD4 (0.41) BRD4P2RX7IDH1RORC
SCHEMBL1390183 0.92 HPGD (0.37) BRD4P2RX7
SCHEMBL1390181 0.92 HPGD (0.37) BRD4P2RX7
SCHEMBL1390393 0.92 BRD4 (0.41) BRD4P2RX7IDH1RORC
SCHEMBL369884 0.91 BRD4 (0.38) BRD4P2RX7IDH1MAPK1DGAT2
SCHEMBL1389815 0.91 BRD4 (0.38) BRD4P2RX7IDH1MAPK1DGAT2
SCHEMBL1389811 0.91 BRD4 (0.38) BRD4P2RX7IDH1MAPK1DGAT2
SCHEMBL1390352 0.90 ACHE (0.36) BRD4

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 5 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 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 BRD4 3540/4885P2RX7 248/4885IDH1 2109/4885

“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.