SCHEMBL9984129

SCHEMBL9984129

Cc1nc(-c2ccc(Nc3nc(-n4ccnc4C(C)C)ccc3[N+](=O)[O-])cc2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.37
NPC1 O15118 10/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 5/20 0.37
GFER P55789 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
STAT1 P42224 1/20 0.33
MAPK1 P28482 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9984364 0.85 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9984395 0.85 IDO1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9984373 0.81 CARM1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9983318 0.81 GAA (0.43) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL9985110 0.81 TRPV1 (0.39) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL9984341 0.78 EGFR (0.45) MAPTMEN1KMT2ALMNABRD4
SCHEMBL9984026 0.77 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9984116 0.77 MAPT (0.46) SMN1; SMN2ALDH1A1HPGDMAPTMEN1
SCHEMBL9985139 0.77 BRD4 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1GFER
SCHEMBL9984308 0.76 HTR6 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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 RAB9A 1721/4885NPC1 1775/4885SMN1; SMN2 2176/4885

“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.