SCHEMBL4580818

SCHEMBL4580818

COc1ccc(-n2c(C(N)=O)nc3ccccc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 2/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PDE10A Q9Y233 3/20 0.58
MAPT P10636 1/20 0.56
G6PD P11413 1/20 0.56
PTGS2 P35354 1/20 0.55
TSHR P16473 1/20 0.55
PSMD14 O00487 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL29175100 0.82 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL4579481 0.81 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL29154649 0.80 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL9672724 0.79 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL6276607 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL451250 0.79 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL31277481 0.78 ALDH1A1 (0.95) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL409520 0.77 MEN1 (0.80) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL31542073 0.76 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL4393425 0.76 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2ARAB9A

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
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885LMNA 3754/4885MEN1 4424/4885

“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.