SCHEMBL9984672

SCHEMBL9984672

NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
KMT2A Q03164 1/20 0.66
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.49
DPP4 P27487 1/20 0.48
GAA P10253 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL4297531 0.92 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL4297536 0.92 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14464189 0.86 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL853559 0.86 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3032231 0.86 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29507768 0.86 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3199148 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL9984131 0.84 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3216240 0.84 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL25189610 0.83 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAMAPTTHRB

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 ALDH1A1 2401/4885KMT2A 1765/4885LMNA 2950/4885

“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.