SCHEMBL363744

SCHEMBL363744

CCN(CC)c1ccc(C(CC(=NO)c2ccncc2)c2ccccc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.63
CNR2 P34972 6/20 0.41
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL10240902 1.00 GPBAR1 (0.63) GPBAR1CNR2ALDH1A1TSHRMAPT
SCHEMBL1389733 1.00 GPBAR1 (0.63) GPBAR1CNR2ALDH1A1TSHRMAPT
SCHEMBL1389944 0.89 GPBAR1 (0.80) GPBAR1CNR2ALDH1A1MAPTRAB9A
SCHEMBL1389941 0.89 GPBAR1 (0.80) GPBAR1CNR2ALDH1A1MAPTRAB9A
SCHEMBL1389946 0.89 GPBAR1 (0.80) GPBAR1CNR2ALDH1A1MAPTRAB9A
SCHEMBL15949181 0.85 CNR2 (0.47) GPBAR1CNR2ALDH1A1TSHRMAPT
SCHEMBL371029 0.84 GPBAR1 (0.61) GPBAR1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL363507 0.84 GPBAR1 (0.61) GPBAR1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1390210 0.84 GPBAR1 (0.61) GPBAR1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10240950 0.83 GPBAR1 (0.74) GPBAR1ALDH1A1MEN1KMT2AKDM4E

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
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 1/4885CNR2 100/4885ALDH1A1 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.