SCHEMBL10130856

SCHEMBL10130856

Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccc([Y])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
RXFP1 Q9HBX9 5/20 0.53
TP53 P04637 1/20 0.53
AURKA O14965 1/20 0.51
PORCN Q9H237 2/20 0.50
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
PMP22 Q01453 1/20 0.47
PKM P14618 3/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1065288 0.88 TRPA1 (0.71) TRPA1RXFP1TP53AURKAPORCN
SCHEMBL15075649 0.85 TRPA1 (0.54) TRPA1RXFP1TP53AURKAPORCN
SCHEMBL1066111 0.85 TRPA1 (0.48) TRPA1RXFP1TP53AURKAPORCN
SCHEMBL10130857 0.83 TRPA1 (0.77) TRPA1RXFP1TP53PORCNPOLB
SCHEMBL15075651 0.83 RXFP1 (0.49) TRPA1RXFP1TP53AURKAPORCN
SCHEMBL15075967 0.81 RXFP1 (0.49) TRPA1RXFP1TP53AURKAPORCN
SCHEMBL21861546 0.79 KMT2A (0.67) TRPA1RXFP1TP53MAPK1KDM4E
SCHEMBL10112859 0.78 ADORA2B (0.62) MAPK1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL7999341 0.78 MAPK1 (0.59) TRPA1RXFP1MAPK1KDM4ELMNA
SCHEMBL17609690 0.78 MAPK1 (0.47) TRPA1RXFP1TP53PORCNMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 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 (2 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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TRPA1 59/4885RXFP1 611/4885TP53 4400/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TRPA1 1/4885RXFP1 33/4885TP53 4573/4885

“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.