SCHEMBL5780401

SCHEMBL5780401

COc1ccccc1CCn1c(-c2ccccc2O)nc2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.69
ABCC1 P33527 1/20 0.61
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5795872 0.87 CASR (0.74) CASRABCC1TSHRLMNAALDH1A1
SCHEMBL5748562 0.85 SMN1; SMN2 (0.72) CASRABCC1USP2TSHRSMN1; SMN2
SCHEMBL5751098 0.84 CASR (0.73) CASRABCC1TSHRLMNAALDH1A1
SCHEMBL5750948 0.84 CASR (0.73) CASRABCC1TSHRLMNAALDH1A1
SCHEMBL5751312 0.83 CASR (0.79) CASRABCC1NPSR1
SCHEMBL5750178 0.82 CASR (1.00) CASR
SCHEMBL5800196 0.81 CASR (0.69) CASRUSP2TSHRSMN1; SMN2LMNA
SCHEMBL5751248 0.81 CASR (0.74) CASRABCC1
SCHEMBL5747388 0.80 CASR (0.86) CASRSMN1; SMN2LMNAKDM4E
SCHEMBL5798662 0.80 SMN1; SMN2 (0.74) CASRUSP2TSHRSMN1; SMN2LMNA

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 3/4885ABCC1 958/4885USP2 4508/4885

“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.