SCHEMBL6304646

SCHEMBL6304646

CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1[nH]c2c(=O)n(C)c(=O)n(CCC)c2c1Br

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.63
TSHR P16473 2/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6306616 0.96 PDE5A (0.58) PDE5ATSHR
SCHEMBL6305338 0.95 PDE5A (0.57) PDE5ATSHRCA12CA9ALDH1A1
SCHEMBL7196124 0.92 PDE5A (0.55) PDE5A
SCHEMBL6312592 0.91 PDE5A (0.58) PDE5ATSHRCA12CA9
SCHEMBL5830971 0.88 PDE5A (0.57) PDE5ATSHRKMT2ACA12CA9
SCHEMBL6313621 0.88 PDE5A (0.56) PDE5ACA12CA9
SCHEMBL6305495 0.87 PDE5A (0.59) PDE5A
SCHEMBL6307577 0.86 PDE5A (0.55) PDE5ATSHRKMT2ACA12CA9
SCHEMBL6312474 0.85 PDE5A (0.58) PDE5ATSHRKMT2ACA12CA9
SCHEMBL5260498 0.83 PDE5A (0.52) PDE5ATSHRCA12CA9ALDH1A1

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-6943253-B2 6-phenylpyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-09-13 US disclosed
EP-1286997-B1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-08-18 EP disclosed
US-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PARALLEL WIRELESS, INC. 2003-12-18 US 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-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PDE5A, PDE2A, PDE3A PDE5A 1/4885TSHR 3917/4885KMT2A 2341/4885

“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.