SCHEMBL2778040

SCHEMBL2778040

COc1cc2c(cc1OC)-c1c(-c3cccs3)nc(C(=O)N3CCCOCC3)n1CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.54
PDE3A Q14432 7/20 0.54
PDE10A Q9Y233 7/20 0.54
KCNK3 O14649 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLAUR Q03405 3/20 0.43
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2780557 0.83 KCNK3 (0.55) PDE7APDE3APDE10AKCNK3GAA
SCHEMBL12963808 0.81 PDE10A (0.72) PDE7APDE3APDE10AKCNK3NPC1
SCHEMBL2775500 0.81 KCNK3 (0.48) PDE7APDE3APDE10AKCNK3SMN1; SMN2
SCHEMBL2777693 0.79 KCNK3 (0.43) PDE7APDE3APDE10AKCNK3GAA
SCHEMBL12972204 0.78 PDE10A (0.51) PDE7APDE3APDE10AKCNK3GAA
SCHEMBL31105163 0.78 KCNK3 (0.50) PDE7APDE3APDE10AKCNK3GAA
SCHEMBL2774365 0.78 KCNK3 (0.43) PDE7APDE3APDE10AKCNK3RAB9A
SCHEMBL31105219 0.77 KCNK3 (0.49) PDE7APDE3APDE10AKCNK3RAB9A
SCHEMBL2777603 0.77 CNR1 (0.54) PDE7APDE3APDE10ARAB9AMAPT
SCHEMBL2776695 0.77 KCNK3 (0.43) PDE7APDE3APDE10AKCNK3GAA

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
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A PDE7A 417/4885PDE3A 170/4885PDE10A 919/4885

“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.