SCHEMBL9984458

SCHEMBL9984458

CC1CCCCN1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.43
S1PR1 P21453 1/20 0.43

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
SCHEMBL13419590 0.96 ALDH1A1 (0.52) GPR174ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL27839217 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5518635 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL1672019 0.81 HTT (0.65) ALDH1A1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL27583865 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL833648 0.80 TDP1 (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL27602168 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL29393462 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL16580890 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL29393745 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNAPOLB

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 GPR174 2376/4885ALDH1A1 2401/4885KMT2A 1765/4885

“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.