SCHEMBL365068

SCHEMBL365068

Cc1cc(C(CC(c2ccc(C3=CCN(C(=O)O)CC3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.68
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
WNT3A P56704 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 3/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 2/20 0.34

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
SCHEMBL1390709 1.00 GPBAR1 (0.68) GPBAR1CNR1ALDH1A1SMN1; SMN2WNT3A
SCHEMBL368891 0.90 GPBAR1 (0.62) GPBAR1CNR1WNT3ANAMPT
SCHEMBL368892 0.90 GPBAR1 (0.62) GPBAR1CNR1WNT3ANAMPT
SCHEMBL368893 0.90 GPBAR1 (0.62) GPBAR1CNR1WNT3ANAMPT
SCHEMBL368890 0.90 GPBAR1 (0.62) GPBAR1CNR1WNT3ANAMPT
SCHEMBL362897 0.90 GPBAR1 (0.53) GPBAR1CNR1ALDH1A1SMN1; SMN2WNT3A
SCHEMBL368358 0.87 GPBAR1 (0.64) GPBAR1WNT3A
SCHEMBL368359 0.87 GPBAR1 (0.64) GPBAR1WNT3A
SCHEMBL368360 0.87 GPBAR1 (0.64) GPBAR1WNT3A
SCHEMBL368357 0.87 GPBAR1 (0.64) GPBAR1WNT3A

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 6 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP 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

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 1/4885CNR1 56/4885ALDH1A1 132/4885

“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.