SCHEMBL362440

SCHEMBL362440

CC(C(N)=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
EPHX1 P07099 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
LMNA P02545 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL20260341 1.00 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL23052844 1.00 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL7475015 0.83 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL28260719 0.83 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL11715171 0.82 CYP2D6 (0.46) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL4098441 0.82 SRC (0.52) ALOX5LMNAHIF1AKDM4ECYP2D6
SCHEMBL5964063 0.81 KDM4E (0.57) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL3592244 0.81 KDM4E (0.57) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL3346793 0.81 KDM4E (0.57) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL8151796 0.81 KDM4E (0.57) ALOX5LMNAADRA2AADRA2CHIF1A

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-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-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 WO 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-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALOX5 1763/4885EPHX1 2459/4885TRPM8 3797/4885

“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.