SCHEMBL9984243

SCHEMBL9984243

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RET P07949 2/20 0.38
ROS1 P08922 2/20 0.38
FLT3 P36888 2/20 0.38
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
NTRK1 P04629 1/20 0.37
HSF1 Q00613 1/20 0.37
SYK P43405 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 2/20 0.35
CTSB P07858 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL9984464 0.92 MAPT (0.41) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9983948 0.90 MAPT (0.46) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984225 0.90 MAPT (0.47) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9987060 0.89 TDP1 (0.43) BRD4MAPTCYP2C9CYP2C19RET
SCHEMBL9983765 0.89 BRD4 (0.53) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984955 0.88 BRD4 (0.44) BRD4HRH4MAPTALDH1A1CYP1A2
SCHEMBL9983279 0.88 BRD4 (0.42) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984060 0.88 HSF1 (0.49) BRD4MAPTALDH1A1HTTRET
SCHEMBL9984371 0.85 HTT (0.39) BRD4MAPTALDH1A1CYP1A2HTT
SCHEMBL9984982 0.84 ALDH1A1 (0.42) BRD4MAPTALDH1A1CYP1A2CYP2C9

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 1137/4885HRH4 1087/4885MAPT 4055/4885

“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.