SCHEMBL6778992

SCHEMBL6778992

Clc1ccc(CNc2nnc(Cl)c3ccccc23)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GOT1 P17174 1/20 0.49
MAPT P10636 2/20 0.48
USP1 O94782 1/20 0.47
WDR48 Q8TAF3 1/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL6777377 0.87 PDE5A (0.55) PDE5AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6780437 0.84 PDE5A (0.64) PDE5A
SCHEMBL6778711 0.84 PDE5A (0.78) PDE5A
SCHEMBL7678377 0.80 PDE5A (0.76) PDE5A
SCHEMBL25300791 0.80 ALDH1A1 (0.50) PDE5AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL30488517 0.80 ALDH1A1 (0.50) PDE5AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3759515 0.80 PDE5A (0.65) PDE5AKMT2AMEN1
SCHEMBL6778548 0.78 PDE5A (0.63) PDE5AKMT2AMEN1
SCHEMBL25858757 0.77 APP (0.57) PDE5AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6777760 0.77 PDE5A (0.61) PDE5A

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-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 PDE5A 4/4885ALDH1A1 410/4885KDM4E 1371/4885

“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.