SCHEMBL9984658

SCHEMBL9984658

O=[N+]([O-])c1ccc(NCc2ccncc2)nc1Nc1ccc(N2CCSCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 4/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SERPINE1 P05121 2/20 0.36
HSF1 Q00613 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
JAK3 P52333 1/20 0.33
GRM5 P41594 1/20 0.33
THRB P10828 1/20 0.33
HTR6 P50406 1/20 0.33
CSF1R P07333 1/20 0.33
CDK6 Q00534 1/20 0.33
BCL2L2 Q92843 1/20 0.33

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
SCHEMBL9985328 0.90 MAPT (0.44) MAPTHTTALDH1A1POLBLMNA
SCHEMBL9984371 0.88 HTT (0.39) MAPTHTTALDH1A1POLBTDP1
SCHEMBL9984257 0.88 MAPT (0.41) MAPTHTTALDH1A1POLBTDP1
SCHEMBL9987164 0.86 TDP1 (0.42) MAPTHTTALDH1A1POLBTDP1
SCHEMBL9984165 0.86 MAPT (0.44) MAPTHTTALDH1A1POLBTDP1
SCHEMBL9983279 0.84 BRD4 (0.42) MAPTHTTALDH1A1BRD4HSF1
SCHEMBL9984353 0.84 HSF1 (0.51) MAPTALDH1A1BRD4LMNASMN1; SMN2
SCHEMBL9983890 0.84 MAPT (0.45) MAPTALDH1A1POLBBRD4LMNA
SCHEMBL9984258 0.83 MAPT (0.40) MAPTHTTALDH1A1POLBTDP1
SCHEMBL9984892 0.82 HSF1 (0.41) MAPTALDH1A1BRD4HSF1JAK3

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 4 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
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
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 4055/4885HTT 4749/4885ALDH1A1 2401/4885

“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.