SCHEMBL5746084

SCHEMBL5746084

O=c1c2ccccc2nc(-c2cc(O)ccc2O)n1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 1.00
GFER P55789 1/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.56
PLA2G1B P04054 2/20 0.56
ATG4B Q9Y4P1 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL5750178 0.88 CASR (1.00) CASRGFERMEN1KMT2A
SCHEMBL5747231 0.87 CASR (0.88) CASRGFERMEN1KMT2ALMNA
SCHEMBL5777640 0.83 CASR (0.82) CASRGFERMEN1KMT2ALMNA
SCHEMBL5746615 0.82 CASR (1.00) CASRGFERMEN1KMT2ALMNA
SCHEMBL5747388 0.81 CASR (0.86) CASRGFERMEN1KMT2ALMNA
SCHEMBL5751262 0.81 CASR (0.84) CASRGFER
SCHEMBL5779595 0.81 CASR (0.84) CASRGFERMEN1KMT2AALDH1A1
SCHEMBL5747732 0.80 CASR (0.86) CASR
SCHEMBL5751290 0.80 CASR (1.00) CASR
SCHEMBL5921199 0.79 CASR (0.75) CASRGFERMEN1KMT2ALMNA

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 10 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 claimed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 US claimed
CN-1708306-A Quinazolinone compounds as calcilytics NPS PHARMA INC (US) 2005-12-14 CN claimed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 EP claimed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 WO claimed
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
CN-1708306-A Quinazolinone compounds as calcilytics NPS PHARMA INC (US) 2005-12-14 CN 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 3/4885GFER 3259/4885MEN1 840/4885

“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.