SCHEMBL448784

SCHEMBL448784

COc1ccc(-n2c(C(C)CNC(=O)c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
ADORA3 P0DMS8 4/20 0.48
UBE2N P61088 1/20 0.48
CXCR3 P49682 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL452387 0.85 HTR7 (0.59) PDE10AALDH1A1MEN1KMT2ACYP1A2
SCHEMBL450628 0.84 ALDH1A1 (0.48) PDE10ACXCR3ALDH1A1MEN1KMT2A
SCHEMBL1552961 0.81 CXCR3 (0.54) PDE10AADORA3CXCR3POLBALDH1A1
SCHEMBL448785 0.79 ALDH1A1 (0.48) PDE10AADORA3UBE2NCXCR3POLB
SCHEMBL449634 0.79 ALDH1A1 (0.64) PDE10AADORA3UBE2NALDH1A1MEN1
SCHEMBL449655 0.78 POLB (0.61) PDE10AADORA3UBE2NPOLBALDH1A1
SCHEMBL451191 0.77 ALDH1A1 (0.64) PDE10AADORA3ALDH1A1MEN1KMT2A
SCHEMBL1552965 0.77 PDE10A (0.62) PDE10AUBE2NALDH1A1MEN1KMT2A
SCHEMBL447996 0.75 HTR7 (0.59) PDE10AALDH1A1MEN1KMT2ACYP1A2
SCHEMBL450629 0.75 ALDH1A1 (0.48) PDE10ACXCR3POLBALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PDE10A 1893/4885ADORA3 300/4885UBE2N 3457/4885

“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.