SCHEMBL10114237

SCHEMBL10114237

COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
PORCN Q9H237 2/20 0.56
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
USP2 O75604 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL10114353 0.85 PORCN (0.58) ALOX15PORCNCYP1A2ALDH1A1MAPK1
SCHEMBL12584327 0.84 PORCN (0.57) ALOX15PORCNTP53CYP1A2RXFP1
SCHEMBL10114217 0.84 PORCN (0.70) PORCNCYP1A2RXFP1SMN1; SMN2ALDH1A1
SCHEMBL17628696 0.80 PORCN (0.77) PORCNTP53CYP1A2RXFP1MAPK1
SCHEMBL10114317 0.80 PORCN (0.70) PORCNTP53LMNARXFP1SMN1; SMN2
SCHEMBL10114272 0.78 PORCN (0.71) PORCNTP53POLBLMNACYP1A2
SCHEMBL17210370 0.78 SMN1; SMN2 (0.55) PORCNPOLBLMNARXFP1SMN1; SMN2
SCHEMBL15891082 0.78 SMN1; SMN2 (0.55) PORCNPOLBLMNARXFP1SMN1; SMN2
SCHEMBL28771624 0.78 SMN1; SMN2 (0.55) PORCNPOLBLMNARXFP1SMN1; SMN2
SCHEMBL10114488 0.78 ALOX15 (1.00) ALOX15TP53POLBLMNACYP1A2

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 25 patents — showing the first 20. 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
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8541423-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2013-09-24 US disclosed
US-8541423-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2013-09-24 US disclosed
US-20130123283-A1 METHODS AND COMPOSTIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2013-05-16 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 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 (7 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 ALOX15 1326/4885PORCN 702/4885TP53 4822/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ALOX15 177/4885PORCN 1236/4885TP53 4803/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALOX15 1080/4885PORCN 774/4885TP53 1505/4885
US-20130123283-A1 METHODS AND COMPOSTIONS FOR TREATING PAIN ACHE, CAT, CA3 ALOX15 645/4885PORCN 3209/4885TP53 1982/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALOX15 91/4885PORCN 2108/4885TP53 4400/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ALOX15 567/4885PORCN 3766/4885TP53 4573/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALOX15 91/4885PORCN 2108/4885TP53 4400/4885

“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.