SCHEMBL9984703

SCHEMBL9984703

NC(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
THRB P10828 1/20 0.49
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DPP4 P27487 1/20 0.45

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
SCHEMBL9984131 0.85 ALDH1A1 (0.75) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4704511 0.83 LMNA (0.59) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL9984155 0.82 GAA (0.52) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL5442497 0.81 POLB (0.55) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL13419316 0.81 PBK (0.46) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL12005041 0.80 MAPT (0.67) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL9984217 0.80 ALDH1A1 (0.53) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL2558977 0.79 ALDH1A1 (0.60) ALDH1A1GAAMAPTSMN1; SMN2HTT
SCHEMBL4921368 0.78 ALDH1A1 (0.75) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL4297536 0.78 ALDH1A1 (0.59) ALDH1A1GAAKMT2AMAPTLMNA

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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP 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 (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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 ALDH1A1 2401/4885GAA 2768/4885KMT2A 1765/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885GAA 3412/4885KMT2A 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.