SCHEMBL2695155

SCHEMBL2695155

COc1ccc(CCNC(=O)Cn2cnc3ncn(C)c(=O)c32)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPT P10636 1/20 0.50
GPR139 Q6DWJ6 1/20 0.50
TRPA1 O75762 4/20 0.49
PTPN1 P18031 1/20 0.47

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
SCHEMBL2695790 0.88 TRPA1 (0.52) CYP1A2CYP3A4ALDH1A1HPGDMAPT
SCHEMBL2697315 0.88 TRPA1 (0.54) CYP1A2CYP3A4HPGDMAPTGPR139
SCHEMBL2693617 0.86 ALDH1A1 (0.52) CYP1A2CYP3A4ALDH1A1HTTKDM4E
SCHEMBL2694604 0.84 TRPA1 (0.53) CYP1A2CYP3A4ALDH1A1HTTKDM4E
SCHEMBL1065336 0.82 CYP1A2 (0.78) CYP1A2CYP3A4HTTKDM4EALOX15
SCHEMBL20187546 0.78 TRPA1 (0.54) KDM4EMAPTTRPA1
SCHEMBL18166640 0.78 CYP1A2 (0.57) CYP1A2CYP3A4ALDH1A1HTTKDM4E
SCHEMBL2696770 0.78 CYP1A2 (0.59) CYP1A2CYP3A4ALDH1A1HTTKDM4E
SCHEMBL2695568 0.76 ALDH1A1 (0.57) CYP1A2CYP3A4ALDH1A1HTTKDM4E
SCHEMBL2697423 0.76 ALDH1A1 (0.55) CYP1A2CYP3A4ALDH1A1HTTKDM4E

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 22 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-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

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 CYP1A2 1483/4885CYP3A4 2741/4885ALDH1A1 1104/4885
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP1A2 1483/4885CYP3A4 2741/4885ALDH1A1 1104/4885
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES CASP3, MGMT, ELANE CYP1A2 1429/4885CYP3A4 1629/4885ALDH1A1 482/4885
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP1A2 1483/4885CYP3A4 2741/4885ALDH1A1 1104/4885
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP1A2 1483/4885CYP3A4 2741/4885ALDH1A1 1104/4885

“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.