SCHEMBL448785

SCHEMBL448785

COc1ccc(-n2c(C(C)NC(=O)c3ccc(C(C)(C)C)cc3C)nc3ccccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ADORA3 P0DMS8 4/20 0.47
UBE2N P61088 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE10A Q9Y233 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3R2 O00459 1/20 0.45
PIK3CG P48736 1/20 0.45
ADORA1 P30542 1/20 0.45
CXCR3 P49682 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL450629 0.82 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL448784 0.79 PDE10A (0.49) ALDH1A1ADORA3UBE2NRAB9APDE10A
SCHEMBL1552961 0.77 CXCR3 (0.54) ALDH1A1ADORA3RAB9ANPSR1PDE10A
SCHEMBL452172 0.76 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ANPSR1PDE10A
SCHEMBL452387 0.75 HTR7 (0.59) ALDH1A1RAB9APDE10AMEN1KMT2A
SCHEMBL1553362 0.74 KCNH2 (0.44) ALDH1A1TP53RAB9APIK3CDPIK3R2
SCHEMBL18076613 0.74 PIK3CD (0.58) ALDH1A1TP53PIK3CDPIK3R2PIK3CG
SCHEMBL4579481 0.73 ALDH1A1 (0.59) ALDH1A1MAPTRAB9ANPSR1PDE10A
SCHEMBL450628 0.72 ALDH1A1 (0.48) ALDH1A1RAB9ANPSR1PDE10ACXCR3
SCHEMBL4580936 0.72 HRH3 (0.49) ALDH1A1MAPTCXCR3LMNACYP1A2

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 ALDH1A1 3161/4885ADORA3 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.