SCHEMBL2595407

SCHEMBL2595407

O=C(O)N(c1ccccc1)c1cnc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NAPRT Q6XQN6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
PTGIR P43119 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
KCNE1 P15382 1/20 0.34

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
SCHEMBL1034457 0.80 ALDH1A1 (0.48) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL19714098 0.78 NPSR1 (0.40) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL1033669 0.76 OXTR (0.42) NPSR1ALDH1A1POLBNPC1RAB9A
SCHEMBL15880895 0.75 NPSR1 (0.41) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL17601641 0.75 NPSR1 (0.38) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL19714149 0.75 MAPKAPK2 (0.39) NPSR1ALDH1A1POLBNPC1RAB9A
SCHEMBL2192774 0.75 PTGIR (0.51) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL57851 0.73 TRPM8 (0.43) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL19714338 0.73 PTGIR (0.52) NPSR1ALDH1A1POLBNPC1HTT
SCHEMBL16167096 0.73 ALDH1A1 (0.46) NPSR1ALDH1A1POLBNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E NPSR1 1778/4885ALDH1A1 3289/4885POLB 4484/4885

“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.