SCHEMBL13675641

SCHEMBL13675641

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
MAPT P10636 7/20 0.67
RAB9A P51151 4/20 0.67
LMNA P02545 4/20 0.67
ALDH1A1 P00352 3/20 0.67
NPC1 O15118 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
TRPV1 Q8NER1 9/20 0.65
TDP1 Q9NUW8 1/20 0.62
MAPK1 P28482 4/20 0.61
HPGD P15428 2/20 0.60
HSP90AA1 P07900 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NLRP1 Q9C000 1/20 0.60

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
SCHEMBL13675878 0.85 TRPV1 (0.67) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6754378 0.85 TRPV1 (0.73) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6754380 0.85 TRPV1 (0.73) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL23547197 0.85 TRPV1 (0.73) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6860426 0.84 TRPV1 (0.76) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6860429 0.84 TRPV1 (0.76) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL3997459 0.82 MMP1 (0.75) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL3997455 0.82 MMP1 (0.75) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL13675776 0.82 MMP1 (0.74) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL13675780 0.81 MAOB (0.72) KMT2AMEN1MAPTRAB9ALMNA

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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 KMT2A 3777/4885MEN1 3504/4885MAPT 755/4885

“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.