SCHEMBL9983193

SCHEMBL9983193

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.52
MAPT P10636 7/20 0.48
PIN1 Q13526 1/20 0.45
HTT P42858 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1G2 P78368 1/20 0.44
MAPK1 P28482 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RPS6KB2 Q9UBS0 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL13570477 0.91 FGFR4 (0.54) FGFR4MAPTPIN1HTTMAPK1
Hydrochloric Acid SCHEMBL2175428 0.90 FGFR4 (0.53) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL16739538 0.86 FGFR4 (0.65) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL13570772 0.85 MAPT (0.51) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL718271 0.85 MAPT (0.51) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL29535826 0.84 MAPT (0.54) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL22719050 0.84 MAPT (0.54) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL2177085 0.83 FGFR4 (0.45) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL9984336 0.83 MAPT (0.52) FGFR4MAPTPIN1HTTMAPK1
SCHEMBL9984352 0.83 HSF1 (0.58) MAPTPIN1HTTCSNK1DCSNK1G2

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 3 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 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 FGFR4 1689/4885MAPT 4055/4885PIN1 4490/4885

“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.