SCHEMBL4518530

SCHEMBL4518530

CCOc1ccccc1-c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
TTR P02766 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.42
STAT3 P40763 1/20 0.42
NCOA2 Q15596 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
PTPRC P08575 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
ENPP1 P22413 2/20 0.41
ENPP3 O14638 1/20 0.41
PDE5A O76074 1/20 0.40
GUSB P08236 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL4522711 0.83 CYP19A1 (0.51) SCN9AALDH1A1HPGDKDM4EMETAP2
SCHEMBL4518763 0.81 SCN9A (0.46) SCN9AALDH1A1KDM4EPDE5ASMN1; SMN2
SCHEMBL14754449 0.80 LMNA (0.46) NPSR1ALDH1A1KDM4EPPARGEGFR
SCHEMBL7476600 0.77 HTT (0.48) SCN9AKDM4ETDP1SMN1; SMN2MAPT
SCHEMBL28166233 0.76 IDO1 (0.43) SCN9ANPSR1ALDH1A1HPGDKDM4E
SCHEMBL17626197 0.75 PTPRC (0.43) TTRNPSR1ALDH1A1HPGDKDM4E
SCHEMBL198911 0.75 ALDH1A1 (0.60) TTRNPSR1ALDH1A1HPGDKDM4E
SCHEMBL3628908 0.75 ENPP1 (0.48) TTRNPSR1ALDH1A1HPGDKDM4E
SCHEMBL31531669 0.74 SCN9A (0.38) SCN9AKDM4ETDP1METAP2METAP1
SCHEMBL9207457 0.74 ADRA1D (0.54) TTRNPSR1ALDH1A1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2170309-B1 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) 2016-10-26 EP 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 (3 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 SCN9A 1400/4885TTR 2815/4885NPSR1 1396/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 SCN9A 1400/4885TTR 2815/4885NPSR1 1396/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 SCN9A 361/4885TTR 670/4885NPSR1 325/4885

“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.