SCHEMBL5774741

SCHEMBL5774741

COc1cccc(-c2nc3ccccc3c(=O)n2CCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.72
RXFP1 Q9HBX9 2/20 0.61
POLB P06746 1/20 0.61
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HTT P42858 1/20 0.59
PLA2G1B P04054 1/20 0.59
GAA P10253 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ATM Q13315 1/20 0.58
F11 P03951 3/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL5780331 0.87 CASR (0.77) CASRRXFP1POLBLMNASMN1; SMN2
SCHEMBL5921451 0.87 CASR (0.81) CASRLMNASMN1; SMN2MAPTHSD17B10
SCHEMBL6309193 0.86 F11 (0.62) CASRRXFP1POLBLMNASMN1; SMN2
SCHEMBL5777984 0.84 CASR (1.00) CASRLMNASMN1; SMN2HSD17B10HTT
SCHEMBL4140148 0.83 CASR (0.49) CASRRXFP1POLBLMNAMAPT
SCHEMBL6309577 0.83 F11 (0.66) RXFP1POLBLMNASMN1; SMN2MAPT
SCHEMBL5746615 0.83 CASR (1.00) CASRLMNASMN1; SMN2MAPTHSD17B10
SCHEMBL5751134 0.83 CASR (0.77) CASRLMNASMN1; SMN2MAPTHSD17B10
SCHEMBL5782080 0.83 CASR (0.77) CASRLMNASMN1; SMN2HSD17B10HTT
SCHEMBL5751248 0.82 CASR (0.74) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558260-A4 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2006-10-25 EP disclosed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 US disclosed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 EP disclosed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 WO 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-20060052345-A1 Quinazolinone compounds as calcilytics CALCR, CALCRL, CASR CASR 3/4885RXFP1 1020/4885POLB 4143/4885

“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.