SCHEMBL5750464

SCHEMBL5750464

COc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 1/20 0.62
MAPT P10636 2/20 0.61
GAA P10253 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TP53 P04637 1/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GBA1 P04062 1/20 0.57
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5156747 0.91 TAAR1 (0.74) TAAR1MAPTGAATP53GLA
SCHEMBL17554092 0.86 TAAR1 (0.64) TAAR1MAPTGAATP53GLA
SCHEMBL29490827 0.84 MT-CO2 (0.59) TAAR1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL22745917 0.84 MT-CO2 (0.59) TAAR1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL17554044 0.83 SMN1; SMN2 (0.69) TAAR1MAPTGAAMAPK1TP53
SCHEMBL20097116 0.83 TSHR (0.69) MAPTGAATSHRMAPK1HSD17B10
SCHEMBL4275017 0.82 NPC1 (0.71) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL11356684 0.82 TAAR1 (0.61) TAAR1MAPTGAATP53GLA
SCHEMBL5750887 0.81 BACE1 (0.63) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL11684013 0.81 DNMT3A (0.65) TAAR1MAPTTP53GLAHPGD

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 TAAR1 1619/4885CYP1A2 3531/4885CYP3A4 2599/4885

“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.