SCHEMBL10151285

SCHEMBL10151285

CC1C=CC(c2scnc2-c2ccc(Cl)c(Cl)c2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
KMO O15229 7/20 0.33
GRM2 Q14416 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORB Q92753 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AHR P35869 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL10151034 0.78 RORB (0.34) GRM5GRM1KMOALDH1A1HPGD
SCHEMBL14754372 0.74 AHR (0.46) KMOALDH1A1HPGDMAPTHTT
SCHEMBL14754361 0.71 KMO (0.40) GRM5GRM1KMOALDH1A1HPGD
SCHEMBL14754392 0.69 ADORA1 (0.48) KMOALDH1A1HPGDMAPTNPSR1
SCHEMBL28294045 0.67 AHR (0.45) GRM5GRM1KMONPSR1RORB
SCHEMBL14754371 0.64 AHR (0.41) KMOALDH1A1HPGDMAPTHTT
SCHEMBL8640336 0.60 NISCH (0.33)
SCHEMBL25132674 0.60 KDM4E (0.32) MAPTKDM4ECYP3A4
SCHEMBL22475240 0.59 CYP3A4 (0.36) ALDH1A1HPGDMAPTKDM4ECYP3A4
SCHEMBL8641402 0.59 HTR2C (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GRM5 3668/4885GRM1 3262/4885KMO 3530/4885

“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.