SCHEMBL9984137

SCHEMBL9984137

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C(N)=O)CC3)c(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.50
MAPT P10636 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40
FLT3 P36888 1/20 0.40
EML4 Q9HC35 1/20 0.40
ALK Q9UM73 1/20 0.40
SYK P43405 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL9987584 0.92 BRD4 (0.51) BRD4MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL9984657 0.91 BRD4 (0.48) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9984009 0.91 MAPT (0.50) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9984423 0.90 BRD4 (0.53) BRD4MAPTALDH1A1NTRK1RET
SCHEMBL9983765 0.90 BRD4 (0.53) BRD4MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9983948 0.90 MAPT (0.46) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9984883 0.89 MAPT (0.48) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9984854 0.87 BRD4 (0.57) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9984105 0.86 MAPT (0.41) BRD4MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9985521 0.85 MAPT (0.57) 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 BRD4 1137/4885MAPT 4055/4885L3MBTL1 4883/4885

“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.