SCHEMBL9984352

SCHEMBL9984352

CNc1ccc([N+](=O)[O-])c(Nc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.58
BRD4 O60885 4/20 0.46
CSNK1D P48730 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
GSK3B P49841 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
SCHEMBL9984188 0.86 BRD4 (0.62) HSF1BRD4CSNK1DCSNK1G2MAPT
SCHEMBL9984832 0.85 HSF1 (0.61) HSF1BRD4MAPTLMNARAB9A
SCHEMBL9984908 0.85 HSF1 (0.61) HSF1BRD4MAPTLMNARAB9A
SCHEMBL11654326 0.83 HSF1 (0.59) HSF1BRD4MAPTLMNAMAPK1
SCHEMBL9985544 0.83 BRD4 (0.46) HSF1BRD4CSNK1DCSNK1G2MAPT
SCHEMBL9983193 0.83 FGFR4 (0.52) HSF1BRD4CSNK1DCSNK1G2MAPT
SCHEMBL9984430 0.82 HSF1 (0.58) HSF1BRD4MAPTRAB9ANPC1
SCHEMBL9984237 0.81 HSF1 (0.57) HSF1BRD4MAPTMEN1KMT2A
SCHEMBL2175387 0.81 TXNRD1 (0.44) CSNK1DCSNK1G2MAPTLMNARAB9A
SCHEMBL9983866 0.81 LMNA (0.49) HSF1BRD4CSNK1DCSNK1G2MAPT

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 HSF1 4685/4885BRD4 1137/4885CSNK1D 399/4885

“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.