SCHEMBL3567952

SCHEMBL3567952

C[C@@H](COc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.52
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3576276 0.87 TRPV1 (0.55) TRPV1LMNAKDM4EALDH1A1MAPT
SCHEMBL3575488 0.85 TRPV1 (0.48) TRPV1
SCHEMBL3572529 0.85 TRPV1 (0.62) TRPV1LMNAKDM4EALDH1A1MAPT
SCHEMBL13316530 0.82 TRPV1 (0.54) TRPV1LMNA
SCHEMBL3575477 0.81 TRPV1 (0.52) TRPV1LMNAALDH1A1SMN1; SMN2
SCHEMBL3572064 0.81 TRPV1 (0.52) TRPV1LMNAALDH1A1SMN1; SMN2
SCHEMBL3574870 0.81 TRPV1 (0.53) TRPV1
SCHEMBL13316634 0.81 TRPV1 (0.61) TRPV1LMNAALDH1A1SMN1; SMN2
SCHEMBL13316531 0.80 TRPV1 (0.51) TRPV1LMNA
SCHEMBL13316529 0.79 TRPV1 (0.52) TRPV1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A TRPV1 30/4885LMNA 4055/4885KDM4E 374/4885

“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.