SCHEMBL6907409

SCHEMBL6907409

CCOc1ccc(CNc2nc(CCCC(=O)O)nc3sc4ccccc4c23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.38
ACHE P22303 1/20 0.38
PDE10A Q9Y233 1/20 0.36
P2RX3 P56373 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL6215433 0.98 PDE5A (0.38) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL6219168 0.97 PDE5A (0.38) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL6216062 0.96 PDE5A (0.39) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL6762884 0.92 ACHE (0.45) PDE5AACHEPDE10A
SCHEMBL6763926 0.90 MEN1 (0.42) TP53ACHEP2RX3
SCHEMBL6213972 0.89 ACHE (0.44) PDE5AACHEPDE10A
SCHEMBL6762774 0.89 TRPV1 (0.44) FFAR1
SCHEMBL6213796 0.89 ACHE (0.43) PDE5AACHEPDE10A
SCHEMBL6212918 0.88 ACHE (0.45) PDE5AACHEPDE10A
SCHEMBL6858285 0.88 HSD17B10 (0.42) SMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) MERCK PATENT GMBH (DE) 2004-03-25 US disclosed
US-20030022906-A1 Use of pde v inhibitors MERCK PATENT GMBH (DE) 2003-01-30 US disclosed
US-6495557-B1 SUCH AS 3-(4-(3-CHLORO-4-METHOXYBENZYLAMINO)BENZO-(4,5)-THIENO (2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID; CARDIOVASCULAR DISORDERS AND/OR IMPAIRED POTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 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 (3 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR PDE5A 9/4885KDM4E 3713/4885ALDH1A1 1785/4885
US-20040058940-A1 Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2) PTGER1, PTGIS, PTGIR PDE5A 261/4885KDM4E 4841/4885ALDH1A1 1756/4885
US-20030022906-A1 Use of pde v inhibitors PDE3A, PDE5A, PDE2A PDE5A 2/4885KDM4E 580/4885ALDH1A1 2276/4885

“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.