SCHEMBL1389633

SCHEMBL1389633

ON=C(CC(c1ccccc1)c1ccc(Br)cc1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.46
HTR2A P28223 1/20 0.40
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
XDH P47989 1/20 0.35
TACR1 P25103 2/20 0.34
CNR1 P21554 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 4/20 0.33
S1PR2 O95136 2/20 0.32
S1PR4 O95977 2/20 0.32
S1PR3 Q99500 2/20 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
SCHEMBL1389631 1.00 GPBAR1 (0.46) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL365184 1.00 GPBAR1 (0.46) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL363029 0.92 GPBAR1 (0.49) GPBAR1XDHTACR1KMT2A
SCHEMBL1389751 0.92 GPBAR1 (0.49) GPBAR1XDHTACR1KMT2A
SCHEMBL365222 0.92 GPBAR1 (0.49) GPBAR1XDHTACR1KMT2A
SCHEMBL1389405 0.87 GPBAR1 (0.57) GPBAR1HTR2AKMT2A
SCHEMBL369989 0.87 GPBAR1 (0.57) GPBAR1HTR2AKMT2A
SCHEMBL363294 0.87 GPBAR1 (0.57) GPBAR1HTR2AKMT2A
SCHEMBL364472 0.86 GPBAR1 (0.49) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10240912 0.86 GPBAR1 (0.49) GPBAR1HTR2ASLC6A2SLC6A4SLC6A3

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 1/4885HTR2A 204/4885SLC6A2 942/4885

“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.