SCHEMBL7548083

SCHEMBL7548083

c1ccc2cc3c(NCc4ccc5c(c4)OCO5)ncnc3cc2c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.80
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CLK4 Q9HAZ1 5/20 0.66
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL7499068 0.89 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5137740 0.87 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7471052 0.85 PDE5A (0.82) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7501078 0.82 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7495950 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31034788 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8015683 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2458882 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31038289 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7493988 0.81 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 PDE5A 3288/4885MEN1 2998/4885KMT2A 4516/4885

“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.