SCHEMBL9983803

SCHEMBL9983803

COc1ccc(Nc2nc(N(C)CCO)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TYMS P04818 1/20 0.41
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
AURKA O14965 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL9984212 0.83 IDO1 (0.43) IDO1GAAHTTMAPTRAB9A
SCHEMBL9984798 0.78 GAA (0.52) IDO1GAAHTTMAPTRAB9A
SCHEMBL6786120 0.78 HSF1 (0.63) MAPT
SCHEMBL2416513 0.78 ALDH1A1 (0.48) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL29695592 0.77 RAB9A (0.59) IDO1GAAHTTMAPTRAB9A
SCHEMBL9794374 0.76 GAA (0.53) IDO1GAAHTTMAPTRAB9A
SCHEMBL720311 0.75 MERTK (0.61) IDO1GAAHTTMAPTRAB9A
SCHEMBL9984430 0.74 HSF1 (0.58) IDO1GAAHTTMAPTRAB9A
SCHEMBL9988183 0.74 BRD4 (0.49) IDO1GAAHTTMAPTRAB9A
SCHEMBL27226136 0.73 MEN1 (0.51) GAAMAPTRAB9AALDH1A1MEN1

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 IDO1 1974/4885GAA 2768/4885HTT 4749/4885

“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.