SCHEMBL13675642

SCHEMBL13675642

CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.65
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
MTOR P42345 1/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
IMPDH2 P12268 1/20 0.53
NPC1 O15118 2/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL13675639 0.89 MAPT (0.67) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL4002733 0.88 MAPT (0.60) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL4002738 0.88 MAPT (0.60) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL13675878 0.82 TRPV1 (0.67) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL13675641 0.81 KMT2A (0.67) TRPV1MAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL25196563 0.80 LMNA (0.73) MAPTSMN1; SMN2TP53MAPK1RAB9A
SCHEMBL25210837 0.80 LMNA (0.73) MAPTSMN1; SMN2TP53MAPK1RAB9A
SCHEMBL4000413 0.79 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL4000407 0.79 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MAPK1
SCHEMBL13675650 0.78 MMP1 (0.77) TRPV1MAPTSMN1; SMN2TP53MAPK1

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 TRPV1 1/4885MAPT 755/4885SMN1; SMN2 2515/4885

“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.