SCHEMBL6795423

SCHEMBL6795423

c1cc2c3c(c1)ccn3CCN2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.61
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTR3A P46098 4/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1A P08908 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
SCHEMBL11216445 0.76 PARP1 (0.48) PARP1ALDH1A1GAA
SCHEMBL6200483 0.76 PARP1 (1.00) PARP1
SCHEMBL27129659 0.75 PARP1 (0.40) PARP1ALDH1A1HTR3AADRA2AADRA2B
SCHEMBL5930435 0.74 PARP1 (0.42) PARP1NISCHHTR3A
SCHEMBL1520626 0.74 PARP1 (0.45) PARP1NISCHALDH1A1HTR3A
SCHEMBL1520624 0.73 PARP1 (0.48) PARP1HTR3A
SCHEMBL19305557 0.71 PARP1 (0.50) PARP1
SCHEMBL19305561 0.71 PARP1 (0.50) PARP1NISCHHTR3A
SCHEMBL2335955 0.70 PARP1 (0.49) PARP1ALDH1A1HTR3AHTR1A
SCHEMBL11497603 0.68 PARP1 (0.43) PARP1NISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US claimed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP claimed
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 PARP1 1943/4885NISCH 1121/4885ALDH1A1 1321/4885

“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.