SCHEMBL1390100

SCHEMBL1390100

CCNC(=O)c1ccc(C(C/C(=N/O)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.40
F9 P00740 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSA P10619 1/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1390102 1.00 BRD4 (0.40) BRD4F9GPBAR1ALDH1A1RAB9A
SCHEMBL369846 1.00 BRD4 (0.40) BRD4F9GPBAR1ALDH1A1RAB9A
SCHEMBL370834 0.92 F9 (0.38) BRD4F9GPBAR1ALDH1A1CTSA
SCHEMBL15949037 0.92 BRD4 (0.36) BRD4F9GPBAR1ALDH1A1GAA
SCHEMBL15949040 0.92 BRD4 (0.36) BRD4F9GPBAR1ALDH1A1GAA
SCHEMBL15949041 0.92 BRD4 (0.36) BRD4F9GPBAR1ALDH1A1GAA
SCHEMBL1389788 0.91 OPRD1 (0.37) BRD4F9GPBAR1CTSAKMT2A
SCHEMBL1389785 0.91 OPRD1 (0.37) BRD4F9GPBAR1CTSAKMT2A
SCHEMBL1389780 0.91 OPRD1 (0.37) BRD4F9GPBAR1CTSAKMT2A
SCHEMBL368842 0.91 ALDH1A1 (0.36) BRD4F9ALDH1A1RAB9ASMN1; SMN2

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 4 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
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 3540/4885F9 4573/4885GPBAR1 1/4885

“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.