SCHEMBL4540036

SCHEMBL4540036

CN1CCc2ccc(-c3csc(NC(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)n3)cc21

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 3/20 0.54
TRPA1 O75762 6/20 0.51
PORCN Q9H237 2/20 0.51
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL18166579 0.88 MAPT (0.76) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL10114087 0.84 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL3249487 0.84 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL3248648 0.84 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL9933508 0.84 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL10114670 0.83 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166618 0.83 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL24767680 0.83 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166657 0.83 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL10113946 0.83 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1TRPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 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
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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 (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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885SMN1; SMN2 1895/4885LMNA 594/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885SMN1; SMN2 129/4885LMNA 819/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885SMN1; SMN2 1895/4885LMNA 594/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885SMN1; SMN2 1895/4885LMNA 594/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885SMN1; SMN2 129/4885LMNA 819/4885

“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.