SCHEMBL1436233

SCHEMBL1436233

Clc1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.79
GAA P10253 9/20 0.79
MEN1 O00255 8/20 0.79
KMT2A Q03164 8/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPK1 P28482 2/20 0.60
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
ALOX5 P09917 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GUSB P08236 1/20 0.53
EGFR P00533 1/20 0.52
CYP1A2 P05177 2/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
CASP3 P42574 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL1436231 1.00 MAPT (0.79) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4093808 0.93 GAA (0.86) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4093805 0.93 GAA (0.86) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4083529 0.88 MEN1 (0.79) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4083567 0.88 GAA (0.79) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4083570 0.88 GAA (0.79) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1435489 0.88 GAA (1.00) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1435490 0.88 GAA (1.00) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4083525 0.88 MEN1 (0.79) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1435308 0.87 MAPT (0.61) MAPTGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAPT 31/4885GAA 157/4885MEN1 1055/4885

“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.