SCHEMBL9984253

SCHEMBL9984253

NC1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc(-c4csc(C5CCCCC5)n4)cc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 2/20 0.34
SCN9A Q15858 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KARS1 Q15046 1/20 0.33
BTK Q06187 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL9984350 0.92 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9987364 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984484 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984418 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984276 0.86 RAB9A (0.44) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984349 0.84 IDH1 (0.35) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984262 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9984326 0.81 HSF1 (0.45) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL9983923 0.79 MAPT (0.43) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL9984364 0.79 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2POLBNPC1RAB9A

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 4 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 claimed
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 claimed
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 ALDH1A1 2401/4885SMN1; SMN2 2176/4885POLB 4384/4885

“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.