SCHEMBL9985355

SCHEMBL9985355

CN(c1cccnc1)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC(CO)C3)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CTSB P07858 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIK1 P57059 2/20 0.35
SIK2 Q9H0K1 2/20 0.35
SIK3 Q9Y2K2 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL9984255 0.92 MAPT (0.38) MAPTALDH1A1LMNAHRH3CTSB
SCHEMBL9985628 0.88 ALDH1A1 (0.42) MAPTALDH1A1LMNACTSBMAPK1
SCHEMBL9984937 0.88 MAPT (0.42) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL9984717 0.86 PLK1 (0.38) MAPTALDH1A1LMNACTSBMAPK1
SCHEMBL9983902 0.85 SYK (0.37) MAPTALDH1A1LMNAHRH3CTSB
SCHEMBL9984454 0.85 ACVR1 (0.42) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL9987422 0.84 TDP1 (0.40) MAPTALDH1A1LMNACTSBMAPK1
SCHEMBL9987005 0.83 BCL2L2 (0.36) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL9985360 0.82 MAPT (0.41) MAPTALDH1A1LMNABCL6GAA
SCHEMBL9984036 0.81 HSF1 (0.44) MAPTALDH1A1LMNAHRH3GABRP

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
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
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 MAPT 4055/4885ALDH1A1 2401/4885LMNA 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.