SCHEMBL9985139

SCHEMBL9985139

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.55
HPGD P15428 2/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GFER P55789 1/20 0.43
HSF1 Q00613 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
STAT1 P42224 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9984115 0.88 HSF1 (0.51) BRD4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9984338 0.88 RAB9A (0.46) BRD4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9984169 0.86 HPGD (0.44) BRD4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9984327 0.85 BRD4 (0.48) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9984823 0.84 BRD4 (0.49) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9983853 0.83 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9984816 0.82 BRD4 (0.66) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9985550 0.81 RAB9A (0.39) BRD4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9984298 0.80 BRD4 (0.66) BRD4NPC1RAB9ASMN1; SMN2HSF1
SCHEMBL9984328 0.78 KDM4E (0.42) NPC1RAB9AALDH1A1KDM4EMAPT

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 BRD4 1137/4885HPGD 320/4885NPC1 1775/4885

“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.