SCHEMBL405867

SCHEMBL405867

CCOC(=O)Nc1cc(C)c(Cl)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.49
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GPR35 Q9HC97 1/20 0.45
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL406273 0.83 NLRP3 (0.49) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL463098 0.83 NLRP3 (0.44) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL405809 0.81 CHEK1 (0.44) NLRP3ALDH1A1SMN1; SMN2GPR35GAA
SCHEMBL16122522 0.81 GLA (0.49) NLRP3ALDH1A1SMN1; SMN2GPR35GAA
SCHEMBL29649051 0.81 NLRP3 (0.55) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL2824291 0.81 NLRP3 (0.55) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6949339 0.81 NLRP3 (0.55) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL405701 0.81 NLRP3 (0.49) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL404508 0.80 NLRP3 (0.51) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7503515 0.79 ALDH1A1 (0.52) NLRP3ALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NLRP3 666/4885ALDH1A1 1909/4885SMN1; SMN2 4774/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NLRP3 666/4885ALDH1A1 1909/4885SMN1; SMN2 4774/4885

“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.