SCHEMBL4187565

SCHEMBL4187565

ClCc1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CD74 P04233 1/20 0.62
MIF P14174 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.60
TAAR1 Q96RJ0 1/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50

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
SCHEMBL5566029 0.96 LOXL2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL7865376 0.83 LOXL2 (0.50) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL4190948 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL15811553 0.82 RAB9A (0.60) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL4522401 0.78 L3MBTL1 (0.56) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL2226853 0.78 LOXL2 (0.74) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL1745076 0.78 LOXL2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL1755714 0.78 LOXL2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL15348483 0.78 LOXL2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL11353430 0.78 LOXL2 (0.64) ALDH1A1KMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD ALDH1A1 1696/4885KMT2A 3705/4885MEN1 4844/4885

“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.