SCHEMBL6800780

SCHEMBL6800780

Cc1ccc(OCCCS(=O)(=O)O)c2c1cc(C(=O)NC(=N)N)n2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.34
MCL1 Q07820 2/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 6/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 2/20 0.32
STING1 Q86WV6 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
PHGDH O43175 1/20 0.31
LMNA P02545 4/20 0.31
MAPT P10636 3/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL6799969 0.89 MCL1 (0.34) PLA2G2AMCL1KMT2AALDH1A1KDM4E
SCHEMBL6794676 0.83 MCL1 (0.33) MCL1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6795754 0.83 KMT2A (0.34) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6799248 0.83 KMT2A (0.39) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6800597 0.81 FBP1 (0.35) PLA2G2AKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6798004 0.81 KMT2A (0.34) KMT2AKDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL6798938 0.80 MCL1 (0.37) PLA2G2AMCL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6795758 0.79 KMT2A (0.33) KMT2AKDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL6798001 0.77 SLC9A1 (0.33) ALDH1A1KDM4EHSD17B10TP53PHGDH
SCHEMBL6797442 0.75 PHGDH (0.39) PLA2G2APHGDH

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 2199/4885MCL1 1343/4885KMT2A 1767/4885

“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.