SCHEMBL9984116

SCHEMBL9984116

CC(C)c1nccn1-c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 5/20 0.41
CYP2C9 P11712 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
STAT6 P42226 1/20 0.40
PKM P14618 1/20 0.40
AURKA O14965 1/20 0.40
POLB P06746 1/20 0.39
SYK P43405 1/20 0.39
SRC P12931 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
SCHEMBL9984395 0.85 IDO1 (0.38) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984341 0.83 EGFR (0.45) MAPTMEN1KMT2ACYP2C9LMNA
SCHEMBL9984373 0.82 CARM1 (0.39) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9983318 0.82 GAA (0.43) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9985110 0.82 TRPV1 (0.39) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984599 0.78 MAPT (0.39) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9984121 0.77 ROCK1 (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9983968 0.77 CSF1R (0.38) MAPTALDH1A1CDK2LMNASYK
SCHEMBL9984476 0.77 CDK4 (0.42) MAPTSMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL9984129 0.77 RAB9A (0.37) MAPTMAPK1MEN1KMT2ATDP1

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 MAPT 4055/4885MAPK1 2569/4885MEN1 2648/4885

“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.