SCHEMBL9983995

SCHEMBL9983995

O=[N+]([O-])c1ccccc1N1CCCC(F)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 5/20 0.46
CTSB P07858 1/20 0.44
AR P10275 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
MITF O75030 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.43
ALDH1A3 P47895 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL7061229 0.83 MAPT (0.63) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL3436184 0.83 LMNA (0.64) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL4402423 0.81 MAPT (0.48) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL3537540 0.81 LMNA (0.68) ALDH1A1LMNAKMT2AMAPTL3MBTL1
SCHEMBL29937743 0.80 CTSB (0.65) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL3799173 0.80 CTSB (0.65) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL7118705 0.80 HTT (0.64) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL29954516 0.80 ALDH1A1 (0.69) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL29956907 0.80 ALDH1A1 (0.69) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL2559422 0.80 ALDH1A1 (0.69) ALDH1A1LMNAHTTKMT2AMAPT

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 2401/4885LMNA 2950/4885HTT 4749/4885

“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.