SCHEMBL5772949

SCHEMBL5772949

Cn1c(CCc2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.69
HDAC8 Q9BY41 1/20 0.63
PDE10A Q9Y233 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.56
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASR P41180 1/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL18017411 0.86 HDAC6 (0.71) HDAC6HDAC8PDE10AMEN1KMT2A
SCHEMBL5739868 0.84 HDAC6 (0.69) HDAC6HDAC8PDE10AMEN1KMT2A
SCHEMBL3818640 0.82 HDAC6 (0.66) HDAC6HDAC8PDE10ALMNAKDM4E
SCHEMBL1161498 0.81 HDAC6 (0.64) HDAC6HDAC8PDE10ALMNAKDM4E
SCHEMBL17088213 0.81 HDAC6 (0.68) HDAC6HDAC8PDE10AKMT2AKDM4E
SCHEMBL29571733 0.81 HDAC6 (0.64) HDAC6HDAC8PDE10ALMNAKDM4E
SCHEMBL28206037 0.80 PDE4A (0.70) MEN1KMT2ALMNATDP1TSHR
SCHEMBL21323255 0.80 NPC1 (0.76) PDE10AMEN1KMT2ALMNAKDM4E
SCHEMBL28206539 0.80 PDE4A (0.75) HDAC6MEN1KMT2ALMNAKDM4E
SCHEMBL28658140 0.78 TDP1 (0.62) HDAC6HDAC8PDE10ALMNAKDM4E

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 HDAC6 2991/4885HDAC8 2582/4885PDE10A 1335/4885

“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.