SCHEMBL9984281

SCHEMBL9984281

CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3C)c(F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
GPR174 Q9BXC1 3/20 0.44
TP53 P04637 2/20 0.43
HRH3 Q9Y5N1 2/20 0.41
S1PR1 P21453 1/20 0.41
BRD4 O60885 6/20 0.41
NTRK1 P04629 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL9984713 0.91 BRD4 (0.52) HSF1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9984242 0.91 GPR174 (0.46) HSF1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9985154 0.88 MAPT (0.45) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9985573 0.88 GPR174 (0.44) HSF1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9984406 0.86 HRH3 (0.40) HSF1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9984372 0.85 HSF1 (0.53) HSF1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL9983657 0.84 GPR174 (0.45) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9985191 0.84 NPSR1 (0.44) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9984710 0.84 GPR174 (0.43) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9984515 0.84 GPR174 (0.43) CYP1A2CYP3A4MAPTCYP2C9CYP2C19

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 HSF1 4685/4885CYP1A2 1338/4885CYP3A4 1344/4885

“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.