SCHEMBL10174986

SCHEMBL10174986

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 3/20 0.50
TEAD4 Q15561 2/20 0.48
TEAD2 Q15562 2/20 0.48
TEAD1 P28347 1/20 0.48
TEAD3 Q99594 1/20 0.48
YAP1 P46937 1/20 0.48
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
IDH2 P48735 1/20 0.45
KIF11 P52732 1/20 0.44
MPO P05164 3/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ERBB2 P04626 1/20 0.42

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
SCHEMBL10144581 0.84 TAS2R14 (0.55) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL10144178 0.80 MAPT (0.50) MAPTRAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL6211043 0.78 MAPT (0.61) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL22719582 0.78 ALDH1A1 (0.61) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL10144184 0.77 APP (0.43) MAPTRAB9AALDH1A1MEN1HTT
SCHEMBL10144191 0.77 APP (0.43) MAPTRAB9AALDH1A1HTTKMT2A
SCHEMBL1921484 0.77 MAPT (0.77) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL21764739 0.75 ALDH1A1 (0.61) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL10174974 0.74 TAS2R14 (0.52) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL18120683 0.73 MAPT (0.67) MAPTRAB9AALDH1A1GAASMN1; SMN2

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 2 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

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 3699/4885RAB9A 2178/4885ALDH1A1 1572/4885

“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.