SCHEMBL10240912

SCHEMBL10240912

O/N=C(\CC(c1ccccc1)c1ccc(Br)cc1)c1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.49
HTR2A P28223 2/20 0.37
TRPA1 O75762 1/20 0.35
CYP19A1 P11511 4/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD1 P21728 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2C P28335 1/20 0.33
SCN1A P35498 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
SCHEMBL1389558 1.00 GPBAR1 (0.49) GPBAR1HTR2ATRPA1CYP19A1SLC6A2
SCHEMBL364472 1.00 GPBAR1 (0.49) GPBAR1HTR2ATRPA1CYP19A1SLC6A2
SCHEMBL361804 0.88 GPBAR1 (0.61) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL1389706 0.88 GPBAR1 (0.61) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10241034 0.88 GPBAR1 (0.61) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL1389633 0.86 GPBAR1 (0.46) GPBAR1HTR2ACYP19A1SLC6A2SLC6A4
SCHEMBL1389631 0.86 GPBAR1 (0.46) GPBAR1HTR2ACYP19A1SLC6A2SLC6A4
SCHEMBL365184 0.86 GPBAR1 (0.46) GPBAR1HTR2ACYP19A1SLC6A2SLC6A4
SCHEMBL15958992 0.86 GPBAR1 (0.47) GPBAR1HTR2ACYP19A1SLC6A2SLC6A4
SCHEMBL1390080 0.82 KMT2A (0.44) HTR2AS1PR3S1PR2S1PR4

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
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
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
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 1/4885HTR2A 204/4885TRPA1 257/4885

“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.