SCHEMBL10174974

SCHEMBL10174974

Cc1c(Nc2ccccc2C=C(C#N)C#N)cccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.52
LMNA P02545 4/20 0.45
DHODH Q02127 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL10144181 0.82 MAPT (0.49) LMNASMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL3368306 0.77 TRPA1 (0.55) LMNASMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL10174986 0.74 MAPT (0.53) SMN1; SMN2ALDH1A1MAPTTEAD1TEAD4
SCHEMBL10144178 0.72 MAPT (0.50) LMNASMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL28248704 0.70 TAS2R14 (0.63) TAS2R14LMNADHODHHDAC6SMN1; SMN2
SCHEMBL10144581 0.69 TAS2R14 (0.55) TAS2R14SMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL30855351 0.69 TAS2R14 (1.00) TAS2R14LMNADHODHHDAC6TRPA1
SCHEMBL10536647 0.69 TAS2R14 (1.00) TAS2R14LMNADHODHHDAC6TRPA1
SCHEMBL10144180 0.67 TRPA1 (0.40) TAS2R14LMNASMN1; SMN2TRPA1ALDH1A1
SCHEMBL10144187 0.67 PTGS2 (0.52) LMNATRPA1MAPTKMT2ACYP1A2

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 TAS2R14 2542/4885LMNA 1164/4885DHODH 3984/4885

“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.