SCHEMBL9984101

SCHEMBL9984101

NC(=O)C1CCN(c2ccc(Nc3nc(NCCCn4ccnc4)ccc3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.38
RET P07949 2/20 0.37
ROS1 P08922 2/20 0.37
FLT3 P36888 2/20 0.37
EML4 Q9HC35 1/20 0.37

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
SCHEMBL9987009 0.94 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL9984090 0.92 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL9984165 0.84 MAPT (0.44) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9983509 0.82 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL9983948 0.82 MAPT (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9984009 0.82 MAPT (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9984105 0.82 MAPT (0.41) ALDH1A1MAPTL3MBTL1SMN1; SMN2HTT
SCHEMBL9984883 0.80 MAPT (0.48) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9984137 0.80 BRD4 (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9984729 0.78 EGFR (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1

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 ALDH1A1 2401/4885MAPT 4055/4885L3MBTL1 4883/4885

“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.