SCHEMBL10113684

SCHEMBL10113684

COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
GAA P10253 4/20 0.64
TSHR P16473 3/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.52
NR4A1 P22736 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRNP P04156 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
SCHEMBL10113509 0.82 LMNA (0.62) KMT2AMEN1GAATSHRTP53
SCHEMBL10113689 0.77 KMT2A (0.66) KMT2AMEN1GAATSHRTP53
SCHEMBL10113540 0.77 ADORA2B (0.61) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL10113519 0.76 KMT2A (0.76) KMT2AMEN1GAATSHRTP53
SCHEMBL10280132 0.76 KDM4E (0.57) KMT2AMEN1GAATSHRTP53
SCHEMBL10113687 0.76 MEN1 (0.57) KMT2AMEN1GAATSHRTP53
SCHEMBL10113413 0.75 TSHR (0.56) KMT2AMEN1GAATSHRTP53
SCHEMBL10113390 0.74 KMT2A (0.73) KMT2AMEN1GAATSHRTP53
SCHEMBL10113404 0.74 KMT2A (0.73) KMT2AMEN1GAATSHRTP53
SCHEMBL10113592 0.74 MAPK1 (0.73) KMT2AMEN1GAATSHRALDH1A1

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 4652/4885GAA 876/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 KMT2A 4097/4885MEN1 4734/4885GAA 2708/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KMT2A 3581/4885MEN1 4652/4885GAA 876/4885

“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.