Sugi Predict

Sugi Predict / Compounds / SCHEMBL5595464

SCHEMBL5595464

SCHEMBL5595464

COc1ccc(CNc2c(C(=O)NCCCN3CCCC3=O)c(Cl)nc3ccc(Br)cc23)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.59
▸ KMT2A Q03164 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.44
▸ TYRO3 Q06418 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ MET P08581 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ PDE6C P51160 2/20 0.43
▸ PDE6D O43924 1/20 0.43
▸ PDE6A P16499 1/20 0.43
▸ PDE6G P18545 1/20 0.43
▸ PDE6B P35913 1/20 0.43

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
SCHEMBL5595880 0.87 PDE5A (0.56) PDE5AKMT2AMAPK1PDE6CPDE6D
SCHEMBL5596051 0.86 PDE5A (0.54) PDE5A
SCHEMBL5595851 0.83 PDE5A (0.52) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL7159372 0.79 PDE5A (0.61) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL7164961 0.79 PDE5A (0.62) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL5595782 0.78 PDE5A (0.70) PDE5AL3MBTL1TYRO3IKBKBABL1
SCHEMBL5596279 0.77 PDE5A (0.60) PDE5A
SCHEMBL7168340 0.76 PDE5A (0.60) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL7164790 0.76 PDE5A (0.57) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL7163538 0.75 PDE5A (0.59) PDE5APDE6CPDE6DPDE6APDE6G

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-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US claimed
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2005-05-26 — — US claimed
US-6835737-B2 For treating conditions such as erectile dysfunction, cardiovascular disorders, male or female sexual dysfunction, diabetes mellitus, and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 — — US claimed
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 — — US claimed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 — — US claimed

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-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885KMT2A 3474/4885L3MBTL1 4224/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885KMT2A 3948/4885L3MBTL1 3529/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885KMT2A 2732/4885L3MBTL1 3080/4885

“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.