SCHEMBL9984308

SCHEMBL9984308

Cc1nc(-c2ccc(Nc3nc(N4CCNCC4)ccc3[N+](=O)[O-])cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 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
SCHEMBL9984026 0.90 RAB9A (0.41) HTR6RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL9983978 0.89 HPGD (0.46) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9984195 0.87 RAB9A (0.46) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9984276 0.87 RAB9A (0.44) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9983515 0.86 HTR6 (0.37) HTR6RAB9AKCNH2CACNA1CASIC3
SCHEMBL9987325 0.86 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9984418 0.84 ALDH1A1 (0.39) HTR6RAB9ANPC1KCNH2CACNA1C
SCHEMBL9984268 0.84 BPTF (0.53) HTR6RAB9ANPC1KCNH2CACNA1C
SCHEMBL9984911 0.82 RAB9A (0.40) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9983895 0.81 MAPT (0.47) HTR6SMN1; SMN2ALDH1A1HTR3EHTR3B

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 HTR6 2720/4885RAB9A 1721/4885NPC1 1775/4885

“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.