SCHEMBL10113394

SCHEMBL10113394

COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.76
KMT2A Q03164 5/20 0.72
MEN1 O00255 4/20 0.72
LMNA P02545 3/20 0.62
GAA P10253 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.49
ADORA2B P29275 1/20 0.49

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
SCHEMBL17413886 0.89 TP53 (0.74) TP53KMT2AMEN1LMNAGAA
SCHEMBL13455271 0.81 TP53 (0.79) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113415 0.79 TP53 (0.70) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113442 0.78 GUSB (0.62) TP53KMT2AMEN1GAAL3MBTL1
SCHEMBL10113519 0.77 KMT2A (0.76) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113700 0.77 LMNA (1.00) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113404 0.75 KMT2A (0.73) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113390 0.75 KMT2A (0.73) TP53KMT2AMEN1LMNAGAA
SCHEMBL10279773 0.74 LMNA (0.74) TP53KMT2AMEN1LMNAGAA
SCHEMBL10113684 0.74 KMT2A (0.71) TP53KMT2AMEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
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-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 (3 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 TP53 4400/4885KMT2A 3581/4885MEN1 4652/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TP53 4573/4885KMT2A 4097/4885MEN1 4734/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885KMT2A 3581/4885MEN1 4652/4885

“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.