SCHEMBL10144180

SCHEMBL10144180

Cc1cncc(Nc2ccccc2C=C(C#N)C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
MAPT P10636 10/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS2 P35354 1/20 0.38
MEN1 O00255 3/20 0.37
PABPC1 P11940 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.35
GRM4 Q14833 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10144178 0.83 MAPT (0.50) TRPA1MAPTKMT2AALDH1A1LMNA
SCHEMBL10144581 0.81 TAS2R14 (0.55) TRPA1MAPTKMT2AALDH1A1KDM4E
SCHEMBL10186510 0.81 TRPA1 (0.38) TRPA1MAPTKMT2AALDH1A1LMNA
SCHEMBL14005492 0.73 NPSR1 (0.48) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL10144181 0.71 MAPT (0.49) TRPA1MAPTKMT2AALDH1A1LMNA
SCHEMBL14068594 0.70 MAPT (0.59) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL10174986 0.69 MAPT (0.53) MAPTKMT2AALDH1A1HTTRAB9A
SCHEMBL10144184 0.69 APP (0.43) TRPA1MAPTKMT2AALDH1A1LMNA
SCHEMBL10144191 0.69 APP (0.43) TRPA1MAPTKMT2AALDH1A1LMNA
SCHEMBL4730917 0.69 TAS2R14 (0.65) TRPA1MAPTKMT2ALMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPA1 163/4885MAPT 3699/4885KMT2A 4109/4885

“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.