SCHEMBL9984406

SCHEMBL9984406

CC1CCCCN1c1ccc(Nc2nc(NCc3ccncc3)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
GPR174 Q9BXC1 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 0.37
HSF1 Q00613 1/20 0.35
CSF1R P07333 1/20 0.34

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
SCHEMBL9985573 0.86 GPR174 (0.44) HRH3TP53POLBGPR174MAPT
SCHEMBL9984281 0.86 HSF1 (0.48) HRH3TP53POLBGPR174MAPT
SCHEMBL9984713 0.84 BRD4 (0.52) HRH3TP53POLBGPR174MAPT
SCHEMBL9984242 0.84 GPR174 (0.46) HRH3TP53POLBGPR174MAPT
SCHEMBL9983509 0.84 ALDH1A1 (0.42) HRH3TP53POLBGPR174MAPT
SCHEMBL9984371 0.83 HTT (0.39) HRH3POLBMAPTCYP1A2BRD4
SCHEMBL9984257 0.83 MAPT (0.41) POLBMAPTBRD4ALDH1A1HTT
SCHEMBL9984403 0.82 POLB (0.42) HRH3TP53POLBGPR174MAPT
SCHEMBL9985154 0.82 MAPT (0.45) HRH3TP53POLBGPR174MAPT
SCHEMBL9984658 0.81 MAPT (0.40) POLBMAPTBRD4ALDH1A1HTT

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 HRH3 1891/4885TP53 4305/4885POLB 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.