SCHEMBL9985191

SCHEMBL9985191

CC1CCCCN1c1ccc(Nc2nc(N3CCOCC3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.43
GPR174 Q9BXC1 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SHMT2 P34897 2/20 0.40
S1PR1 P21453 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL9983657 0.91 GPR174 (0.45) POLBMAPTGPR174ALDH1A1LMNA
SCHEMBL9984710 0.90 GPR174 (0.43) MAPK1POLBMAPTGPR174ALDH1A1
SCHEMBL9985264 0.90 GPR174 (0.45) MAPK1POLBMAPTGPR174ALDH1A1
SCHEMBL9984515 0.90 GPR174 (0.43) MAPK1POLBMAPTGPR174ALDH1A1
SCHEMBL9984375 0.86 MAPT (0.54) NPSR1MAPK1POLBMAPTALDH1A1
SCHEMBL9985154 0.84 MAPT (0.45) POLBMAPTGPR174LMNATP53
SCHEMBL9985370 0.84 POLB (0.42) POLBMAPTGPR174ALDH1A1HTT
SCHEMBL9984281 0.84 HSF1 (0.48) POLBMAPTGPR174TP53CYP1A2
SCHEMBL9985202 0.83 MAPT (0.46) NPSR1MAPTALDH1A1LMNAGAA
SCHEMBL9984333 0.83 SYK (0.46) NPSR1MAPTALDH1A1LMNAGAA

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 NPSR1 1103/4885MAPK1 2569/4885POLB 4384/4885

“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.