SCHEMBL5780331

SCHEMBL5780331

COc1ccc(-c2nc3ccccc3c(=O)n2CCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.77
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
ATM Q13315 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
ALDH1A1 P00352 10/20 0.68
HPGD P15428 6/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
LMNA P02545 3/20 0.68
MAPK1 P28482 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
ABCC1 P33527 1/20 0.63
HSD17B10 Q99714 2/20 0.63
PLA2G1B P04054 1/20 0.63
GAA P10253 1/20 0.63
ATG4B Q9Y4P1 1/20 0.63
CYP1A2 P05177 1/20 0.62

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
SCHEMBL5921364 0.88 CASR (0.85) CASRMEN1KMT2ARXFP1ALDH1A1
SCHEMBL5774741 0.87 CASR (0.72) CASRMEN1KMT2AATMRXFP1
SCHEMBL5777984 0.87 CASR (1.00) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL3431636 0.85 ALDH1A1 (0.79) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6307999 0.85 ALDH1A1 (0.69) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL5751291 0.84 CASR (0.82) CASRMEN1KMT2ARXFP1ALDH1A1
SCHEMBL5777640 0.84 CASR (0.82) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL5751312 0.83 CASR (0.79) CASRMEN1KMT2AATMRXFP1
SCHEMBL5748402 0.83 CASR (0.85) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL5800208 0.82 CASR (0.80) CASRMEN1KMT2AATMRXFP1

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 3/4885MEN1 840/4885KMT2A 4854/4885

“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.