SCHEMBL368846

SCHEMBL368846

Cc1cc(C(C[C@H](c2ccc(N3CCC(C(N)=O)CC3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.63
TDP1 Q9NUW8 2/20 0.40
RORC P51449 3/20 0.40
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CTSA P10619 1/20 0.37
NR3C2 P08235 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1390028 1.00 GPBAR1 (0.63) GPBAR1TDP1RORCALDH1A1NPSR1
SCHEMBL368847 1.00 GPBAR1 (0.63) GPBAR1TDP1RORCALDH1A1NPSR1
SCHEMBL1390030 1.00 GPBAR1 (0.63) GPBAR1TDP1RORCALDH1A1NPSR1
SCHEMBL368845 1.00 GPBAR1 (0.63) GPBAR1TDP1RORCALDH1A1NPSR1
SCHEMBL364189 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19
SCHEMBL1389955 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19
SCHEMBL362777 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19
SCHEMBL1389953 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19
SCHEMBL1389739 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19
SCHEMBL1389958 0.93 GPBAR1 (0.65) GPBAR1NPSR1CTSANR3C2CYP2C19

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 1/4885TDP1 2650/4885RORC 2041/4885

“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.