SCHEMBL10144181

SCHEMBL10144181

Cc1cccc(Nc2ccccc2C=C(C#N)C#N)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 3/20 0.47
TRPA1 O75762 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
AKR1B10 O60218 1/20 0.47
ABCB11 O95342 1/20 0.47
DHFR P00374 1/20 0.47
MPO P05164 1/20 0.47
CHRM1 P11229 1/20 0.47
AKR1B1 P15121 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL10174974 0.82 TAS2R14 (0.52) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL10144178 0.77 MAPT (0.50) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL3369333 0.77 MAPT (0.63) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL7341065 0.74 LMNA (0.54) ALDH1A1KMT2ALMNAMEN1TRPA1
SCHEMBL10144187 0.74 PTGS2 (0.52) MAPTKMT2ALMNAMEN1TRPA1
SCHEMBL7349226 0.74 LMNA (0.50) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL7349968 0.74 LMNA (0.50) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1922753 0.73 LMNA (0.63) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL4189645 0.73 RAPGEF4 (0.65) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL10186509 0.72 TRPA1 (0.44) MAPTALDH1A1KDM4EKMT2ALMNA

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
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
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

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 1572/4885KDM4E 4643/4885

“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.