SCHEMBL9984262

SCHEMBL9984262

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(-c2csc(C3CCCCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GSR P00390 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.37
FGFR4 P22455 2/20 0.37
RPS6KB2 Q9UBS0 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
MAOA P21397 6/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 7/20 0.35
VCP P55072 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL9984326 0.87 HSF1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984823 0.85 BRD4 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL9984250 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984114 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AMAOA
SCHEMBL9987364 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984253 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984350 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984484 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9984418 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9985285 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT

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-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

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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 SMN1; SMN2 2176/4885ALDH1A1 2401/4885GSR 3413/4885

“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.