SCHEMBL5748829

SCHEMBL5748829

O=c1c2ccccc2ncn1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
THRB P10828 1/20 0.64
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
HTR1A P08908 2/20 0.61
HTR7 P34969 2/20 0.61
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
ACHE P22303 1/20 0.58
APP P05067 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 2/20 0.55

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
SCHEMBL28389854 0.90 SMN1; SMN2 (0.53) POLBTHRBHTTSMN1; SMN2HTR1A
SCHEMBL29692294 0.84 SMN1; SMN2 (0.64) POLBTHRBHTTSMN1; SMN2HTR1A
SCHEMBL16210930 0.84 SMN1; SMN2 (0.64) POLBTHRBHTTSMN1; SMN2HTR1A
SCHEMBL11881104 0.84 CA2 (0.59) ALDH1A1
SCHEMBL2316606 0.83 TNF (0.54) POLBTHRBHTTHTR1AHTR7
SCHEMBL30128747 0.81 MAPK1 (0.51) POLBTHRBHTTSMN1; SMN2HTR1A
SCHEMBL30128766 0.81 MAPT (0.50) POLBTHRBSMN1; SMN2HTR1AHTR7
SCHEMBL30128797 0.81 POLB (0.48) POLBTHRBHTTSMN1; SMN2HTR1A
SCHEMBL30128811 0.81 SMN1; SMN2 (0.51) POLBTHRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL13036135 0.81 APP (0.56) POLBTHRBHTTSMN1; SMN2HTR1A

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 POLB 4143/4885THRB 1540/4885HTT 4084/4885

“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.