SCHEMBL10144184

SCHEMBL10144184

N#CC(C#N)=Cc1ccccc1Nc1cccc(CCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
SIRT1 Q96EB6 2/20 0.43
TRPA1 O75762 1/20 0.40
SNCA P37840 3/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 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
SCHEMBL10144191 0.90 APP (0.43) APPSIRT1TRPA1SNCANPC1
SCHEMBL10144178 0.80 MAPT (0.50) TRPA1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL10174986 0.77 MAPT (0.53) RAB9AALDH1A1MAPTKMT2AHTT
SCHEMBL10144180 0.69 TRPA1 (0.40) SIRT1TRPA1NPC1CYP1A2CYP2C9
SCHEMBL10144181 0.69 MAPT (0.49) APPTRPA1NPC1CYP1A2CYP2C9
SCHEMBL24548251 0.68 ABCG2 (0.48) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL10144581 0.67 TAS2R14 (0.55) TRPA1CYP2C9RAB9AALDH1A1MAPT
SCHEMBL10186510 0.67 TRPA1 (0.38) APPSIRT1TRPA1SNCANPC1
SCHEMBL12332748 0.66 MEN1 (0.42) APPSNCANPC1CYP1A2CYP2C9
Diphenylamine SCHEMBL9561950 0.65 MAPT (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 APP 1067/4885SIRT1 2138/4885TRPA1 163/4885

“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.