SCHEMBL9984022

SCHEMBL9984022

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.56
MAPT P10636 11/20 0.53
MAPK1 P28482 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL9984173 0.88 MAPT (0.56) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9983629 0.87 MAPT (0.50) BRD4MAPTMAPK1MEN1KMT2A
SCHEMBL9983993 0.86 MAPT (0.54) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9987466 0.85 MAPT (0.47) BRD4MAPTMAPK1MEN1KMT2A
SCHEMBL9984881 0.82 CYP17A1 (0.48) BRD4MAPTMAPK1MEN1KMT2A
SCHEMBL9987468 0.81 MAPT (0.47) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984330 0.81 MAPT (0.58) BRD4MAPTMAPK1MEN1KMT2A
SCHEMBL29393674 0.81 MAPT (0.58) BRD4MAPTMAPK1MEN1KMT2A
SCHEMBL14332336 0.81 MAPT (0.46) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9984816 0.81 BRD4 (0.66) BRD4MAPTMAPK1MEN1KMT2A

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 1137/4885MAPT 4055/4885MAPK1 2569/4885

“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.