SCHEMBL9984673

SCHEMBL9984673

NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.48
SIRT6 Q8N6T7 2/20 0.48
ADRB1 P08588 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL2126870 0.85 MAPT (0.56) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL6873751 0.85 MAPT (0.56) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL9984902 0.83 POLB (0.51) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL2096047 0.82 MAPT (0.64) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL9984132 0.81 MAPT (0.50) POLBMAPTALDH1A1SIRT6ADRB1
Hydrochloric Acid SCHEMBL5216171 0.80 MAPT (0.62) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL25197695 0.80 POLB (0.67) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL9987107 0.80 MAPT (0.51) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL31669360 0.78 MAPT (0.49) POLBMAPTALDH1A1SIRT6ADRB1
Trifluoroacetic Acid SCHEMBL3552142 0.78 MAPT (0.49) POLBMAPTALDH1A1MEN1KMT2A

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 POLB 4384/4885MAPT 4055/4885ALDH1A1 2401/4885

“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.