SCHEMBL9983279

SCHEMBL9983279

CC(C)CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCSCC3)c(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.42
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 1/20 0.38
CDK6 Q00534 1/20 0.38
HSF1 Q00613 1/20 0.38
SYK P43405 1/20 0.36
BCL2L2 Q92843 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NTRK1 P04629 1/20 0.35
THRB P10828 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FLT3 P36888 2/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL9984225 0.91 MAPT (0.47) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984955 0.90 BRD4 (0.44) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9985174 0.88 BRD4 (0.55) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984464 0.88 MAPT (0.41) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984243 0.88 BRD4 (0.41) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984353 0.87 HSF1 (0.51) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9987060 0.86 TDP1 (0.43) BRD4MAPTCYP2C9CYP2C19SYK
SCHEMBL9984892 0.85 HSF1 (0.41) BRD4MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL9983948 0.85 MAPT (0.46) BRD4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984658 0.84 MAPT (0.40) BRD4MAPTALDH1A1HTTCSF1R

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 4055/4885ALDH1A1 2401/4885

“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.