SCHEMBL9984403

SCHEMBL9984403

CC1CCCCN1c1ccc(Nc2nc(N(C)c3ccncc3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GPR174 Q9BXC1 3/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
S1PR1 P21453 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.35
LATS1 O95835 1/20 0.34
GRM4 Q14833 1/20 0.33
BTK Q06187 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL9983856 0.87 MAPT (0.39) POLBGPR174CYP1A2CYP3A4MAPT
SCHEMBL9984367 0.84 SYK (0.36) TP53MAPTHRH3MEN1KMT2A
SCHEMBL9984251 0.84 MAPT (0.39) GPR174MAPTGABRPGABRDGABRA1
SCHEMBL9985154 0.82 MAPT (0.45) POLBGPR174TP53CYP1A2CYP3A4
SCHEMBL9984365 0.82 MAPT (0.40) POLBMAPT
SCHEMBL9988236 0.82 BCL2L2 (0.36) MAPTMEN1KMT2A
SCHEMBL9984406 0.82 HRH3 (0.40) POLBGPR174TP53CYP1A2CYP3A4
SCHEMBL9987161 0.82 TDP1 (0.42) POLBMAPTCYP2C9CYP2C19MEN1
SCHEMBL9984281 0.81 HSF1 (0.48) POLBGPR174TP53CYP1A2CYP3A4
SCHEMBL9984163 0.81 MAPT (0.44) POLBTP53CYP1A2CYP3A4MAPT

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 POLB 4384/4885GPR174 2376/4885TP53 4305/4885

“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.