SCHEMBL2693340

SCHEMBL2693340

Cc1ccc(-c2csc(NC(=O)Cn3cnc4c(C)cn(C)c(=O)c43)n2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 2/20 0.46
TRPA1 O75762 6/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL2697228 0.91 MAPT (0.58) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2696416 0.91 MAPT (0.69) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2694516 0.91 MAPT (0.58) MAPTPOLBSMN1; SMN2LMNATRPA1
SCHEMBL2695759 0.90 MAPT (0.67) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2697458 0.90 TRPA1 (0.59) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10111817 0.88 MAPT (0.72) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2696413 0.86 MAPT (0.70) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10114087 0.82 MAPT (1.00) MAPTPOLBSMN1; SMN2LMNATRPA1
SCHEMBL2697351 0.81 MAPT (0.79) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2697380 0.78 MAPT (0.71) MAPTPOLBSMN1; SMN2KMT2AMEN1

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 MAPT 2844/4885POLB 2332/4885SMN1; SMN2 1895/4885
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885POLB 2332/4885SMN1; SMN2 1895/4885
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES CASP3, MGMT, ELANE MAPT 1662/4885POLB 2324/4885SMN1; SMN2 2791/4885
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885POLB 2332/4885SMN1; SMN2 1895/4885
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885POLB 2332/4885SMN1; SMN2 1895/4885

“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.