SCHEMBL9984276

SCHEMBL9984276

Cc1nc(-c2ccc(Nc3nc(N4CCC(N)CC4)ccc3[N+](=O)[O-])cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KARS1 Q15046 1/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL9984195 0.91 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9984349 0.89 IDH1 (0.35) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9984026 0.88 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9984308 0.87 HTR6 (0.41) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9983978 0.87 HPGD (0.46) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL9984253 0.86 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL9983981 0.84 LMNA (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9984450 0.83 PLK1 (0.32) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9984453 0.83 PLK1 (0.32) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9983923 0.82 MAPT (0.43) ALDH1A1LMNATSHRMAPTPOLB

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.