SCHEMBL9984009

SCHEMBL9984009

CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C(N)=O)CC3)c(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HSF1 Q00613 1/20 0.46
RET P07949 2/20 0.42
ROS1 P08922 2/20 0.42
FLT3 P36888 2/20 0.42
EML4 Q9HC35 1/20 0.42
ALK Q9UM73 1/20 0.42
SYK P43405 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
CTPS1 P17812 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
SCHEMBL9987376 0.92 TDP1 (0.48) MAPTL3MBTL1CYP2C9CYP2C19POLB
SCHEMBL9984883 0.91 MAPT (0.48) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9984137 0.91 BRD4 (0.50) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9983871 0.90 HSF1 (0.44) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9984060 0.89 HSF1 (0.49) MAPTL3MBTL1ALDH1A1HSF1RET
SCHEMBL9984171 0.89 HSF1 (0.49) MAPTALDH1A1HSF1RETROS1
SCHEMBL9983948 0.88 MAPT (0.46) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9985521 0.88 MAPT (0.57) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9984345 0.85 FLT3 (0.49) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9984165 0.85 MAPT (0.44) MAPTL3MBTL1CYP1A2CYP3A4CYP2D6

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 4055/4885L3MBTL1 4883/4885CYP1A2 1338/4885

“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.