SCHEMBL2694604

SCHEMBL2694604

COc1ccc(CCNC(=O)Cn2cnc3c(C)cn(C)c(=O)c32)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.53
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 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
SCHEMBL2695297 0.90 TRPA1 (0.54) TRPA1CYP1A2CYP3A4HPGDGPR139
SCHEMBL2696420 0.89 TRPA1 (0.53) TRPA1MAPTCYP1A2CYP3A4ALDH1A1
SCHEMBL2695155 0.84 CYP1A2 (0.53) TRPA1HTTMAPTCYP1A2CYP3A4
SCHEMBL2693617 0.82 ALDH1A1 (0.52) TRPA1HTTMAPTCYP1A2CYP3A4
SCHEMBL2696770 0.79 CYP1A2 (0.59) TRPA1HTTMAPTCYP1A2CYP3A4
SCHEMBL1065336 0.78 CYP1A2 (0.78) HTTMAPTCYP1A2CYP3A4KDM4E
SCHEMBL18166640 0.75 CYP1A2 (0.57) TRPA1HTTMAPTCYP1A2CYP3A4
SCHEMBL2697315 0.74 TRPA1 (0.54) TRPA1MAPTCYP1A2CYP3A4HPGD
SCHEMBL2695568 0.73 ALDH1A1 (0.57) TRPA1HTTMAPTCYP1A2CYP3A4
SCHEMBL2697423 0.73 ALDH1A1 (0.55) TRPA1HTTMAPTCYP1A2CYP3A4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-11-01 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-9260431-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2016-02-16 US disclosed
US-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2014-10-09 US disclosed
US-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2014-10-09 US disclosed
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
WO-2010039289-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2010-04-08 WO disclosed
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 WO 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 (5 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-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885HTT 4377/4885MAPT 2844/4885
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885HTT 4377/4885MAPT 2844/4885
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES CASP3, MGMT, ELANE TRPA1 169/4885HTT 4357/4885MAPT 1662/4885
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885HTT 4377/4885MAPT 2844/4885
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885HTT 4377/4885MAPT 2844/4885

“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.