SCHEMBL2359520

SCHEMBL2359520

CCON=C(c1ncc(C(F)(F)F)cc1Cl)n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2170397 0.90 NPSR1 (0.40) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2258580 0.86 NPSR1 (0.37) ALDH1A1GAANPSR1HPGDKMT2A
SCHEMBL2256065 0.86 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2254716 0.84 NPSR1 (0.50) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2170796 0.84 NPSR1 (0.50) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL15918560 0.77 ALDH1A1 (0.36) ALDH1A1GAAKMT2AL3MBTL1KDM4E
SCHEMBL2169625 0.77 ALDH1A1 (0.50) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2170802 0.76 ALDH1A1 (0.52) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2170806 0.76 ALDH1A1 (0.52) ALDH1A1GAAMAPTNPSR1HPGD
SCHEMBL2168671 0.73 NPSR1 (0.39) ALDH1A1MAPTNPSR1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195930-A1 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-08-11 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 (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-20110195930-A1 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION NOX3, SCN3A, OR10J3 ALDH1A1 1408/4885GAA 4567/4885MAPT 3350/4885

“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.