SCHEMBL4987485

SCHEMBL4987485

COc1cc2cc3c(cc2cc1OCc1ccccc1)NC(=O)C(C#N)C3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SRD5A1 P18405 2/20 0.43
SRD5A2 P31213 2/20 0.43
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CHRNA7 P36544 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL4985341 0.77 CHRNA7 (0.50) PDE4BMEN1KMT2ACHRNA7
SCHEMBL11216122 0.70 CHRNA7 (0.40) CHRNA7
SCHEMBL3056405 0.70 MAOA (0.62) PDE4BPDE4APDE4CPDE4DCTSV
SCHEMBL6031474 0.69 EGFR (0.50) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL4988764 0.69 SRD5A1 (0.46) SRD5A1SRD5A2CHRNA7MAPT
SCHEMBL3041636 0.68 MAOA (0.53) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL16537757 0.67 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL16536586 0.67 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL18949798 0.67 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL7214919 0.66 SRD5A1 (0.58) SRD5A1SRD5A2CTSVCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 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 (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-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS PDE4B 2264/4885PDE4A 2652/4885PDE4C 2597/4885

“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.