SCHEMBL9985309

SCHEMBL9985309

O=[N+]([O-])c1ccc(N2CCNCC2)nc1Nc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 4/20 0.51
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 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
SCHEMBL9984086 0.91 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9984266 0.89 CDK4 (0.43) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9985177 0.89 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9984594 0.89 CDK4 (0.43) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9984279 0.89 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9984375 0.89 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9984893 0.87 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9983445 0.87 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9984840 0.86 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9984710 0.86 GPR174 (0.43) MAPTALDH1A1SMN1; SMN2LMNAGAA

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 4055/4885ALDH1A1 2401/4885SMN1; SMN2 2176/4885

“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.