SCHEMBL6804622

SCHEMBL6804622

Cc1cc(CCP(=O)(O)O)cc2c1cc(C(=O)NC(=N)N)n2C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SLC9A1 P19634 1/20 0.33
F10 P00742 4/20 0.32
F2 P00734 2/20 0.32
PHGDH O43175 4/20 0.32
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL7573183 0.89 PGK1 (0.36) SLC9A1F10F2PHGDHKLKB1
SCHEMBL6795254 0.85 LDHA (0.30)
Bromide SCHEMBL6798798 0.84 LDHA (0.30)
SCHEMBL6798150 0.83 PHGDH (0.33) SLC9A1F10F2PHGDH
SCHEMBL6798602 0.79 THRA (0.36) THRATHRBSLC9A1F10F2
SCHEMBL6797073 0.76 PHGDH (0.43) PHGDH
SCHEMBL6798620 0.74 ACP3 (0.32)
SCHEMBL6795651 0.73 HPGD (0.41) THRATHRB
Bromide SCHEMBL6797834 0.73 ACP3 (0.31)
SCHEMBL6792820 0.73 LDHA (0.30)

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 THRA 2350/4885THRB 2239/4885SLC9A1 8/4885

“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.