SCHEMBL2695674

SCHEMBL2695674

CC(C)c1ccc(NC(=O)Cn2cnc3ccn(C)c(=O)c32)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.64
ALDH1A1 P00352 2/20 0.58
RXFP1 Q9HBX9 3/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.43
MAPT P10636 4/20 0.43
THRB P10828 1/20 0.43
PORCN Q9H237 2/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2695577 0.84 TRPA1 (0.67) TRPA1ALDH1A1RXFP1TP53MEN1
SCHEMBL2693750 0.81 TRPA1 (0.62) TRPA1ALDH1A1RXFP1TP53MEN1
SCHEMBL1064155 0.78 TRPA1 (1.00) TRPA1RXFP1TP53MEN1KMT2A
SCHEMBL1060571 0.77 TRPA1 (0.69) TRPA1ALDH1A1RXFP1TP53MEN1
SCHEMBL4288044 0.76 ADORA2B (0.52)
SCHEMBL3039424 0.76 ALDH1A1 (0.56) TRPA1ALDH1A1TP53MEN1KMT2A
SCHEMBL4462949 0.76 ALDH1A1 (0.56) TRPA1ALDH1A1TP53MEN1KMT2A
SCHEMBL1065250 0.75 TRPA1 (0.60) TRPA1ALDH1A1RXFP1TP53MEN1
SCHEMBL1065288 0.74 TRPA1 (0.71) TRPA1ALDH1A1RXFP1TP53MEN1
SCHEMBL2695622 0.74 TRPA1 (0.71) TRPA1ALDH1A1RXFP1TP53MEN1

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 123/4885ALDH1A1 1104/4885RXFP1 3119/4885
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885ALDH1A1 1104/4885RXFP1 3119/4885
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES CASP3, MGMT, ELANE TRPA1 169/4885ALDH1A1 482/4885RXFP1 3549/4885
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885ALDH1A1 1104/4885RXFP1 3119/4885
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885ALDH1A1 1104/4885RXFP1 3119/4885

“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.