SCHEMBL5656871

SCHEMBL5656871

C1=C\Cn2ccc3cccc(c32)\C=C/1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
HTR1A P08908 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
SCHEMBL3125224 0.87 PARP1 (0.37) PARP1HTR1A
SCHEMBL4501824 0.70
SCHEMBL25376150 0.66 CYP2B6 (0.30)
SCHEMBL31635833 0.64 PARP1 (0.34) PARP1HTR1A
Hydrochloric Acid SCHEMBL11632825 0.63 PARP1 (0.33) PARP1
SCHEMBL19305561 0.63 PARP1 (0.50) PARP1
SCHEMBL4892208 0.63 PARP1 (0.40) PARP1
SCHEMBL12021878 0.62 HTR1A (0.40) PARP1HTR1A
SCHEMBL30439933 0.60 ALDH1A1 (0.47) PARP1
SCHEMBL30220270 0.60 ALDH1A1 (0.47) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105908-A1 Thiazolimine compound and oxazolimine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-10 US disclosed
EP-1640369-A1 THIAZOLIMINE COMPOUND AND OXAZOLIMINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-03-29 EP disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP disclosed
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 (2 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-20070105908-A1 Thiazolimine compound and oxazolimine compound CMA1, TH, NPR3 PARP1 4360/4885HTR1A 889/4885
US-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 PARP1 1943/4885HTR1A 894/4885

“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.