SCHEMBL4524262

SCHEMBL4524262

Fc1ccc(-c2cscn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
ABL1 P00519 1/20 0.45
EPHB4 P54760 2/20 0.43
CASP1 P29466 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
SCN9A Q15858 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.37
KDR P35968 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CHEK2 O96017 1/20 0.36
TDP2 O95551 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14754382 0.86 KMO (0.47) KMOABL1METAP2METAP1SCN9A
SCHEMBL28273947 0.84 RAB9A (0.45) KMOMETAP2METAP1SCN9ACHEK2
SCHEMBL15943367 0.84 AHR (0.48) KMOABL1KDM4EMEN1KMT2A
SCHEMBL1772805 0.81 METAP2 (0.38) KMOEPHB4METAP2METAP1SCN9A
SCHEMBL6512405 0.79 ESR2 (0.46) METAP2METAP1ADORA2AADORA1CHEK2
SCHEMBL679357 0.77 METAP2 (0.46) METAP2METAP1KDM4EMEN1KMT2A
SCHEMBL16331578 0.77 GRK5 (0.60) KDM4EMEN1KMT2A
SCHEMBL14320585 0.76 CHEK2 (0.42) METAP2METAP1SCN9ACHEK2KDM4E
SCHEMBL6516626 0.76 ESR2 (0.44) SCN9AKDM4E
SCHEMBL28135481 0.76 NOTUM (0.52) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 KMO 3530/4885ABL1 970/4885EPHB4 1975/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KMO 1951/4885ABL1 3316/4885EPHB4 2064/4885

“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.