SCHEMBL369271

SCHEMBL369271

Cn1cc(C(CC(c2ccc(Br)cc2)c2ccccc2F)=NO)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.53
BRD4 O60885 1/20 0.35
EGFR P00533 2/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HIF1A Q16665 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NTSR1 P30989 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
SCHEMBL369269 1.00 GPBAR1 (0.53) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL369270 1.00 GPBAR1 (0.53) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL369248 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL370089 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL370488 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL370471 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL370489 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL369249 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL370088 0.89 GPBAR1 (0.67) GPBAR1BRD4EGFRALDH1A1LMNA
SCHEMBL369684 0.88 GPBAR1 (0.45) GPBAR1BRD4EGFRALDH1A1LMNA

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 1/4885BRD4 3540/4885EGFR 2863/4885

“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.