SCHEMBL9985154

SCHEMBL9985154

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.45
GPR174 Q9BXC1 3/20 0.44
TP53 P04637 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
S1PR1 P21453 1/20 0.41
FGFR4 P22455 1/20 0.39
GSR P00390 1/20 0.37
TXNRD1 Q16881 1/20 0.37
GFER P55789 1/20 0.36
TNNI3K Q59H18 1/20 0.36
BRD4 O60885 2/20 0.36
LMNA P02545 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
SCHEMBL9984281 0.88 HSF1 (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9984242 0.86 GPR174 (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9984713 0.86 BRD4 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9983657 0.85 GPR174 (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9984515 0.84 GPR174 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9985191 0.84 NPSR1 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9985264 0.84 GPR174 (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9984710 0.84 GPR174 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9985573 0.84 GPR174 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9984259 0.83 ALDH1A1 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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 2 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 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 MAPT 4055/4885CYP1A2 1338/4885CYP3A4 1344/4885

“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.