SCHEMBL1389822

SCHEMBL1389822

Cc1ccccc1C(C/C(=N/O)c1cnccn1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.61
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL363747 1.00 GPBAR1 (0.61) GPBAR1LMNAHPGDKDM4EHTT
SCHEMBL1389823 1.00 GPBAR1 (0.61) GPBAR1LMNAHPGDKDM4EHTT
SCHEMBL1390140 0.84 GPBAR1 (0.48) GPBAR1LMNAHPGDKDM4EHTT
SCHEMBL363507 0.83 GPBAR1 (0.61) GPBAR1LMNAKDM4EGAAKMT2A
SCHEMBL1390210 0.83 GPBAR1 (0.61) GPBAR1LMNAKDM4EGAAKMT2A
SCHEMBL371029 0.83 GPBAR1 (0.61) GPBAR1LMNAKDM4EGAAKMT2A
SCHEMBL14936447 0.80 GPBAR1 (0.58) GPBAR1LMNAKDM4EGAAALDH1A1
SCHEMBL14936449 0.80 GPBAR1 (0.58) GPBAR1LMNAKDM4EGAAALDH1A1
SCHEMBL14936448 0.80 GPBAR1 (0.58) GPBAR1LMNAKDM4EGAAALDH1A1
SCHEMBL14936446 0.80 GPBAR1 (0.58) GPBAR1LMNAKDM4EGAAALDH1A1

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 GPBAR1 1/4885LMNA 2651/4885HPGD 602/4885

“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.