SCHEMBL13430540

SCHEMBL13430540

NOOc1cc2c(cc1[N+](=O)[O-])C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13430554 0.87 ESR1 (0.34)
SCHEMBL1903629 0.86 CYP2C9 (0.35) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL29351133 0.86 CYP2C9 (0.35) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL13916008 0.86 CYP2C9 (0.35) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4712395 0.82 ALDH1A1 (0.36) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4406652 0.81 ESR1 (0.34) LMNAMAPTCYP2C9CYP2C19PIK3CD
SCHEMBL5768823 0.81 CYP2C9 (0.38) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14567601 0.80 ALDH1A1 (0.37) CYP1A2CYP3A4MAPTCYP2C9HPGD
SCHEMBL6392586 0.76 CYP2C9 (0.35) LMNACYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4409924 0.74 CHRNB4 (0.53) LMNAMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100062046-A1 POLYMORPHS OF NICOTINIC INTERMEDIATES ALLEN DOUGLAS J M 2010-03-11 US 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-20100062046-A1 POLYMORPHS OF NICOTINIC INTERMEDIATES NAPRT, NAMPT, NNMT LMNA 743/4885CYP1A2 180/4885CYP3A4 69/4885

“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.