SCHEMBL13419656

SCHEMBL13419656

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC6A5 Q9Y345 5/20 0.45
SLC6A9 P48067 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4294928 0.95 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL4762124 0.93 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL4256274 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL594885 0.84 MAPT (0.60) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL13419728 0.83 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL25169527 0.83 MAPT (0.60) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL4296358 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL29197700 0.82 ENPP2 (0.45) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL21161193 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL29507766 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ATHRBLMNA

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
CN-114423750-B 2, 4-Disubstituted pyrimidine derivative, preparation method and application thereof 成都赜灵生物医药科技有限公司 2024-04-19 CN disclosed
CN-114423750-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-04-29 CN disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 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-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885KMT2A 3606/4885

“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.