SCHEMBL5777984

SCHEMBL5777984

O=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 1.00
SMN1; SMN2 Q16637 7/20 0.74
LMNA P02545 5/20 0.74
GAA P10253 3/20 0.74
PLA2G1B P04054 1/20 0.74
HSD17B10 Q99714 1/20 0.74
ATG4B Q9Y4P1 1/20 0.74
ALDH1A1 P00352 6/20 0.74
RECQL P46063 1/20 0.74
RAB9A P51151 1/20 0.74
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ABCC1 P33527 1/20 0.67
TSHR P16473 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GFER P55789 1/20 0.60
KDM4E B2RXH2 2/20 0.57

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 0.92 CASR (0.85) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5748402 0.92 CASR (0.85) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5751291 0.91 CASR (0.82) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5777640 0.91 CASR (0.82) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5921451 0.90 CASR (0.81) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5751134 0.87 CASR (0.77) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5782080 0.87 CASR (0.77) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5746615 0.87 CASR (1.00) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL5780331 0.87 CASR (0.77) CASRSMN1; SMN2LMNAGAAPLA2G1B
SCHEMBL28008951 0.85 ALDH1A1 (1.00) CASRSMN1; SMN2LMNAGAAALDH1A1

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 5 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
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 3/4885SMN1; SMN2 4811/4885LMNA 2618/4885

“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.