SCHEMBL9983509

SCHEMBL9983509

CC1CCCCN1c1ccc(Nc2nc(NCCCn3ccnc3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
CYP19A1 P11511 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.37
GPR174 Q9BXC1 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 2/20 0.35
BRD4 O60885 2/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL9984406 0.84 HRH3 (0.40) ALDH1A1MAPTHTTHRH3TP53
SCHEMBL9987009 0.83 L3MBTL1 (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL9985573 0.83 GPR174 (0.44) ALDH1A1MAPTHTTHRH3TP53
SCHEMBL9984101 0.82 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL9984281 0.82 HSF1 (0.48) MAPTHRH3TP53POLBGPR174
SCHEMBL9983513 0.82 TP53 (0.39) MAPTHRH3TP53POLBGPR174
SCHEMBL9984090 0.81 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL9984242 0.81 GPR174 (0.46) MAPTHTTHRH3TP53POLB
SCHEMBL9984713 0.81 BRD4 (0.52) MAPTHRH3TP53POLBGPR174
SCHEMBL9984317 0.80 CYP19A1 (0.42) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1

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 4055/4885SMN1; 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.