SCHEMBL1435441

SCHEMBL1435441

OCc1cccc(C=CC=NNc2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
MEN1 O00255 6/20 0.55
MAPT P10636 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 4/20 0.55
HDAC4 P56524 2/20 0.44
MEF2D Q14814 2/20 0.44
GSTO1 P78417 1/20 0.43
EGFR P00533 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL1435439 1.00 GAA (0.55) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435436 1.00 GAA (0.55) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435309 0.88 GAA (0.58) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435310 0.88 GAA (0.58) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435415 0.88 GAA (0.58) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435383 0.85 GAA (0.74) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435385 0.85 GAA (0.74) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435337 0.84 MAPT (0.56) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1436534 0.84 MAPT (0.53) GAAMEN1MAPTKMT2AALDH1A1
SCHEMBL1435335 0.84 MAPT (0.56) GAAMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP claimed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP GAA 157/4885MEN1 1055/4885MAPT 31/4885

“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.