SCHEMBL1389751

SCHEMBL1389751

ON=C(CC(c1ccccc1)c1ccccc1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.49
TACR1 P25103 2/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
XDH P47989 2/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NLRP3 Q96P20 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 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
SCHEMBL363029 1.00 GPBAR1 (0.49) GPBAR1TACR1BCHEACHEXDH
SCHEMBL365222 1.00 GPBAR1 (0.49) GPBAR1TACR1BCHEACHEXDH
SCHEMBL365184 0.92 GPBAR1 (0.46) GPBAR1TACR1XDHKMT2A
SCHEMBL1389631 0.92 GPBAR1 (0.46) GPBAR1TACR1XDHKMT2A
SCHEMBL1389633 0.92 GPBAR1 (0.46) GPBAR1TACR1XDHKMT2A
SCHEMBL362225 0.81 GPBAR1 (0.52) GPBAR1TACR1XDHHTTNLRP3
SCHEMBL10240947 0.81 GPBAR1 (0.52) GPBAR1TACR1XDHHTTNLRP3
SCHEMBL362226 0.81 GPBAR1 (0.52) GPBAR1TACR1XDHHTTNLRP3
SCHEMBL363294 0.79 GPBAR1 (0.57) GPBAR1KMT2A
SCHEMBL1389405 0.79 GPBAR1 (0.57) GPBAR1KMT2A

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 1/4885TACR1 219/4885BCHE 4568/4885

“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.