SCHEMBL10113404

SCHEMBL10113404

COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
TSHR P16473 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TP53 P04637 1/20 0.65
LMNA P02545 6/20 0.63
GAA P10253 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 2/20 0.60
RECQL P46063 2/20 0.60
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL14413510 0.88 POLB (0.77) KMT2AMEN1TSHRNPSR1LMNA
SCHEMBL10113519 0.88 KMT2A (0.76) KMT2AMEN1TSHRTP53LMNA
SCHEMBL10113390 0.85 KMT2A (0.73) KMT2AMEN1TSHRTP53LMNA
SCHEMBL10113415 0.79 TP53 (0.70) KMT2AMEN1TSHRNPSR1TP53
SCHEMBL10113413 0.79 TSHR (0.56) KMT2AMEN1TSHRNPSR1TP53
SCHEMBL10113700 0.77 LMNA (1.00) KMT2AMEN1TSHRNPSR1TP53
SCHEMBL10113689 0.76 KMT2A (0.66) KMT2AMEN1TSHRNPSR1TP53
SCHEMBL10113394 0.75 TP53 (0.76) KMT2AMEN1TSHRTP53LMNA
SCHEMBL10113687 0.75 MEN1 (0.57) KMT2AMEN1TSHRTP53LMNA
SCHEMBL10279773 0.74 LMNA (0.74) KMT2AMEN1TSHRNPSR1TP53

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 14 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-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
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 KMT2A 3581/4885MEN1 4652/4885TSHR 4859/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 KMT2A 4097/4885MEN1 4734/4885TSHR 2721/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KMT2A 3581/4885MEN1 4652/4885TSHR 4859/4885

“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.