SCHEMBL10113092

SCHEMBL10113092

CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
MAPK1 P28482 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HSD17B10 Q99714 1/20 0.72
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA7 P43166 1/20 0.71
CA9 Q16790 1/20 0.71
EPHX2 P34913 7/20 0.68
HTT P42858 1/20 0.68
GAA P10253 2/20 0.66
KDM4E B2RXH2 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 1/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL13419972 0.96 ALDH1A1 (0.92) ALDH1A1MAPK1SMN1; SMN2HSD17B10CA12
SCHEMBL24624914 0.90 ALDH1A1 (0.83) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL10113275 0.88 ALDH1A1 (0.80) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL23016876 0.84 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL23016877 0.80 CA12 (0.69) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL7697206 0.79 CA12 (0.70) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL15176799 0.78 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2HSD17B10GAA
SCHEMBL10113058 0.78 POLB (0.75) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL10113042 0.78 ALDH1A1 (0.65) ALDH1A1MAPK1SMN1; SMN2CA12CA1
SCHEMBL10112945 0.77 CA1 (0.78) ALDH1A1MAPK1SMN1; SMN2CA12CA1

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 10 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

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 ALDH1A1 540/4885MAPK1 4386/4885SMN1; SMN2 365/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885MAPK1 4386/4885SMN1; SMN2 365/4885

“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.