SCHEMBL9984258

SCHEMBL9984258

O=[N+]([O-])c1ccc(NCc2ccncc2)nc1Nc1ccc(N2CCCC(CO)C2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 3/20 0.35
JAK2 O60674 1/20 0.34
SYK P43405 1/20 0.34
SERPINE1 P05121 1/20 0.34
LMNA P02545 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IGF1R P08069 1/20 0.33
BCL6 P41182 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL9985360 0.91 MAPT (0.41) MAPTALDH1A1HTTPOLBLMNA
SCHEMBL9984315 0.88 MAPT (0.40) MAPTALDH1A1HTTPOLBTDP1
SCHEMBL9984036 0.87 HSF1 (0.44) MAPTALDH1A1HTTPOLBBRD4
SCHEMBL9984835 0.86 BRD4 (0.39) MAPTALDH1A1HTTBRD4JAK2
SCHEMBL9984257 0.86 MAPT (0.41) MAPTALDH1A1HTTPOLBTDP1
SCHEMBL9984401 0.86 MAPT (0.40) MAPTALDH1A1BRD4JAK2SYK
SCHEMBL9984192 0.85 MAPT (0.41) MAPTALDH1A1HTTPOLBBRD4
SCHEMBL9983535 0.85 BRD4 (0.49) MAPTALDH1A1BRD4JAK2SYK
SCHEMBL9984371 0.84 HTT (0.39) MAPTALDH1A1HTTPOLBTDP1
SCHEMBL9987164 0.84 TDP1 (0.42) MAPTALDH1A1HTTPOLBTDP1

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 MAPT 4055/4885ALDH1A1 2401/4885HTT 4749/4885

“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.