SCHEMBL9985264

SCHEMBL9985264

CC1CCCCN1c1ccc(Nc2nc(N3CCC(O)CC3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.45
POLB P06746 2/20 0.42
MAPT P10636 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 4/20 0.36
PDE7A Q13946 1/20 0.36
SHMT2 P34897 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLK1 P53350 1/20 0.35
GFER P55789 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
SCHEMBL9984515 0.92 GPR174 (0.43) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9983657 0.91 GPR174 (0.45) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9984710 0.90 GPR174 (0.43) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9985191 0.90 NPSR1 (0.44) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9983445 0.88 ALDH1A1 (0.45) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9984012 0.88 MAPT (0.47) GPR174POLBMAPTALDH1A1MEN1
SCHEMBL9984020 0.84 FLT3 (0.46) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9985154 0.84 MAPT (0.45) GPR174POLBMAPTCYP1A2CYP3A4
SCHEMBL9984698 0.84 MAPT (0.41) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL9985370 0.84 POLB (0.42) GPR174POLBMAPTCYP1A2CYP3A4

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 GPR174 2376/4885POLB 4384/4885MAPT 4055/4885

“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.