SCHEMBL6798688

SCHEMBL6798688

Cn1c(C(=O)NC(=N)N)cc2c(C(F)(F)F)cc(OCCCS(=O)(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PKM P14618 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HIF1A Q16665 1/20 0.31
PHGDH O43175 2/20 0.31

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
SCHEMBL6792626 0.95 PHGDH (0.31) PHGDHLDHA
SCHEMBL6798938 0.87 MCL1 (0.37) PLA2G2AALDH1A1LMNAPOLBRAB9A
SCHEMBL6797442 0.86 PHGDH (0.39) PLA2G2APHGDH
SCHEMBL6797958 0.84 STS (0.35) PHGDHLDHA
SCHEMBL6798811 0.84 AGER (0.38) KDM4EPKMHIF1AMCL1LDHA
SCHEMBL6795612 0.83 LDHA (0.32) LDHA
SCHEMBL6798398 0.83 LDHA (0.30) LDHA
Bromide SCHEMBL6800194 0.82 LDHA (0.31) LDHA
SCHEMBL6799969 0.81 MCL1 (0.34) PLA2G2AALDH1A1SMN1; SMN2KDM4EMCL1
SCHEMBL6795763 0.81 POLB (0.38) PLA2G2AALDH1A1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734205-B2 SODIUM CHANNEL MODERATORS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-05-11 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP 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-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 PLA2G2A 2199/4885ALDH1A1 1321/4885LMNA 1165/4885

“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.