SCHEMBL9984451

SCHEMBL9984451

CCN(CC)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC(C(N)=O)C3)c(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.47
CTSB P07858 1/20 0.43
MAPT P10636 7/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
S100A4 P26447 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 2/20 0.40
ROS1 P08922 2/20 0.40
FLT3 P36888 2/20 0.40
EML4 Q9HC35 1/20 0.40
ALK Q9UM73 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9984312 0.87 ALDH1A1 (0.41) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9983871 0.86 HSF1 (0.44) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9984049 0.86 MAPT (0.44) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9984657 0.84 BRD4 (0.48) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9983921 0.84 ALDH1A1 (0.42) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9985628 0.84 ALDH1A1 (0.42) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9984687 0.84 FLT3 (0.45) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL9984982 0.83 ALDH1A1 (0.42) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9984588 0.83 ALDH1A1 (0.40) ALDH1A1LMNAGAACTSBMAPT
SCHEMBL9983640 0.82 JAK3 (0.46) ALDH1A1LMNAMAPTHTTMEN1

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 ALDH1A1 2401/4885LMNA 2950/4885GAA 2768/4885

“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.