SCHEMBL9984259

SCHEMBL9984259

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 9/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
FGFR4 P22455 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL9985022 0.90 FGFR4 (0.42) ALDH1A1POLBLMNAMAPK1CYP1A2
SCHEMBL21643974 0.90 MAPT (0.47) ALDH1A1POLBLMNAMAPK1CYP1A2
SCHEMBL9985257 0.88 MAPT (0.48) ALDH1A1POLBLMNAMAPK1L3MBTL1
SCHEMBL9984372 0.85 HSF1 (0.53) ALDH1A1LMNAMAPK1CYP1A2CYP2C19
SCHEMBL9987980 0.85 TDP1 (0.49) POLBCYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL9985521 0.85 MAPT (0.57) ALDH1A1POLBMAPK1CYP1A2CYP2C19
SCHEMBL9983385 0.84 MAPT (0.41) ALDH1A1POLBLMNAL3MBTL1MAPT
SCHEMBL9984521 0.84 BRD4 (0.43) ALDH1A1LMNAMAPK1CYP1A2CYP2C19
SCHEMBL9984854 0.84 BRD4 (0.57) ALDH1A1LMNAMAPK1CYP1A2CYP2C19
SCHEMBL9984049 0.84 MAPT (0.44) ALDH1A1POLBLMNACYP1A2CYP2C19

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 2 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 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 2401/4885POLB 4384/4885LMNA 2950/4885

“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.