SCHEMBL6798113

SCHEMBL6798113

Cn1c(C(=O)NC(=N)N)cc2c(C(F)(F)F)ccc(OCC(=O)O)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
PTGDR2 Q9Y5Y4 11/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35
PPARD Q03181 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AGER Q15109 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL6801442 0.88 KMT2A (0.33) KMT2A
SCHEMBL6799248 0.87 KMT2A (0.39) RORCPTGDR2KMT2APPARDTSHR
SCHEMBL6794676 0.85 MCL1 (0.33) KMT2A
SCHEMBL7570983 0.85 EGFR (0.34) KMT2A
SCHEMBL6799475 0.85 TDP1 (0.43) RORCPTGDR2KMT2ATSHRTDP1
SCHEMBL6799969 0.84 MCL1 (0.34) KMT2A
SCHEMBL6796789 0.83 KMT2A (0.32) KMT2A
Water SCHEMBL6797065 0.82 KMT2A (0.32) KMT2A
SCHEMBL6796793 0.82 KMT2A (0.32) KMT2A
Water SCHEMBL6797070 0.81 KMT2A (0.31) KMT2A

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 RORC 3431/4885PTGDR2 458/4885KMT2A 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.