SCHEMBL5773420

SCHEMBL5773420

O=c1c2ccccc2nc(-c2cccs2)n1CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.68
ALDH1A1 P00352 8/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 6/20 0.61
KDM4E B2RXH2 5/20 0.61
POLB P06746 1/20 0.61
LMNA P02545 6/20 0.59
HSD17B10 Q99714 4/20 0.59
PLA2G1B P04054 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 2/20 0.55
ABCC1 P33527 1/20 0.54
TSHR P16473 1/20 0.53
USP2 O75604 2/20 0.53
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL5777984 0.81 CASR (1.00) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4149042 0.81 ALDH1A1 (0.56) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5748402 0.80 CASR (0.85) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31276955 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL13700971 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL13851579 0.78 CASR (0.61) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5748764 0.77 MEN1 (1.00) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5921199 0.77 CASR (0.75) CASRSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5921364 0.77 CASR (0.85) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6313793 0.77 ALDH1A1 (0.51) CASRALDH1A1SMN1; SMN2MEN1KMT2A

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 3/4885ALDH1A1 4096/4885SMN1; SMN2 4811/4885

“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.