SCHEMBL9984563

SCHEMBL9984563

CC(C)(C)c1ccc(Nc2nc(N3CCNCC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPT P10636 6/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 2/20 0.41
HTR6 P50406 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL9984357 0.88 MAPT (0.45) ALDH1A1MAPTMAPK1KDM4EPOLB
SCHEMBL9984268 0.88 BPTF (0.53) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984920 0.87 MAPT (0.49) ALDH1A1CYP1A2CYP2C19MAPTMAPK1
SCHEMBL9983895 0.86 MAPT (0.47) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984384 0.85 MAPT (0.43) ALDH1A1CYP3A4CYP2C19MAPTMAPK1
SCHEMBL9984559 0.85 MAPT (0.41) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984106 0.85 SRC (0.48) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984270 0.82 MAPT (0.53) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984308 0.79 HTR6 (0.41) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL9984818 0.79 TRPV1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN 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 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
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN disclosed
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 ALDH1A1 2401/4885HTR3E 3919/4885HTR3B 2880/4885

“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.