SCHEMBL10144178

SCHEMBL10144178

Cc1cccc(Nc2ccccc2C=C(C#N)C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
TRPA1 O75762 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10144180 0.83 TRPA1 (0.40) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL10144184 0.80 APP (0.43) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL10174986 0.80 MAPT (0.53) MAPTALDH1A1KMT2AHTTRAB9A
SCHEMBL10144191 0.80 APP (0.43) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL10144181 0.77 MAPT (0.49) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL19250123 0.76 NPSR1 (0.55) MAPTALDH1A1KMT2AHTTNPSR1
SCHEMBL1922073 0.75 NPSR1 (0.72) MAPTALDH1A1KMT2AHTTNPSR1
SCHEMBL28364858 0.73 NPSR1 (0.55) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL10174974 0.72 TAS2R14 (0.52) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL6882349 0.71 NPSR1 (0.60) MAPTALDH1A1KMT2AHTTNPSR1

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 MAPT 3699/4885ALDH1A1 1572/4885KMT2A 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.