SCHEMBL10112948

SCHEMBL10112948

CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
LMNA P02545 3/20 0.73
TSHR P16473 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HPGD P15428 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ALDH1A1 P00352 4/20 0.66
GAA P10253 1/20 0.65
TP53 P04637 1/20 0.62
POLB P06746 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
DHFR P00374 1/20 0.56

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
SCHEMBL10112919 0.88 POLB (0.79) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL15976542 0.84 DHFR (0.77) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL10113540 0.82 ADORA2B (0.61) MEN1KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL5340104 0.82 KMT2A (0.86) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL10279641 0.81 SMN1; SMN2 (0.58) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL489370 0.80 LMNA (0.59) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL10112959 0.78 KMT2A (0.72) MEN1KMT2ATSHRHPGDHSD17B10
SCHEMBL489208 0.78 LMNA (0.57) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL10113234 0.78 POLB (0.77) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL19752674 0.77 USP2 (0.71) MEN1KMT2ATSHRHSD17B10ALDH1A1

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 MEN1 4652/4885KMT2A 3581/4885LMNA 1619/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 MEN1 4734/4885KMT2A 4097/4885LMNA 3299/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MEN1 4652/4885KMT2A 3581/4885LMNA 1619/4885

“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.