SCHEMBL12108293

SCHEMBL12108293

COC(=O)c1nc(Cl)c(C)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 5/20 0.36
PKM P14618 2/20 0.36
S1PR4 O95977 1/20 0.35
PLA2G2A P14555 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
RCE1 Q9Y256 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20302593 0.92 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL11730515 0.90 NPSR1 (0.54) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL31214346 0.88 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL2408051 0.88 NPSR1 (0.52) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL30020649 0.86 NPSR1 (0.54) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL15900342 0.86 NPSR1 (0.54) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL2183292 0.85 NPSR1 (0.58) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL12108294 0.85 NPSR1 (0.48) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL31623853 0.83 NPSR1 (0.47) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL22303559 0.83 NPSR1 (0.47) NPSR1SMN1; SMN2L3MBTL1RAB9ANPC1

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
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885SMN1; SMN2 3583/4885L3MBTL1 1224/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885SMN1; SMN2 3583/4885L3MBTL1 1224/4885

“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.