SCHEMBL10240933

SCHEMBL10240933

Cc1cnc(F)cc1/C(CC(c1ccccc1)c1ccccc1)=N/O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.43
BRD4 O60885 1/20 0.36
EPHX2 P34913 1/20 0.34
CTSA P10619 3/20 0.32
HTT P42858 3/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
TACR1 P25103 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL362649 1.00 GPBAR1 (0.43) GPBAR1BRD4EPHX2CTSAHTT
SCHEMBL362648 1.00 GPBAR1 (0.43) GPBAR1BRD4EPHX2CTSAHTT
SCHEMBL10241041 0.84 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL1390297 0.84 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL362889 0.84 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL10240932 0.84 GPBAR1 (0.38) GPBAR1EPHX2CTSAHTTMEN1
SCHEMBL364369 0.84 GPBAR1 (0.38) GPBAR1EPHX2CTSAHTTMEN1
SCHEMBL364368 0.84 GPBAR1 (0.38) GPBAR1EPHX2CTSAHTTMEN1
SCHEMBL1390144 0.81 BRD4 (0.43) BRD4EPHX2CTSAHTTFFAR1
SCHEMBL362238 0.80 GPBAR1 (0.66) GPBAR1CTSA

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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 3540/4885EPHX2 1909/4885

“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.