SCHEMBL449366

SCHEMBL449366

CC(Cl)C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 3/20 0.53
MASP2 O00187 1/20 0.53
DHODH Q02127 3/20 0.53
CFD P00746 1/20 0.51
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL140910 0.84 KMT2A (0.54) KMT2AMASP2DHODHCFDKDM4E
SCHEMBL27972037 0.84 KMT2A (0.54) KMT2AMASP2DHODHCFDKDM4E
SCHEMBL16345921 0.84 CYP1A2 (0.63) L3MBTL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL15220622 0.83 L3MBTL1 (0.55) L3MBTL1KMT2AKDM4EMEN1PKM
SCHEMBL448609 0.83 TSHR (0.65) L3MBTL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL5176882 0.81 KMT2A (0.52) KMT2AMASP2DHODHCFDKDM4E
SCHEMBL5696465 0.81 LMNA (0.60) L3MBTL1KMT2AMASP2CFDKDM4E
SCHEMBL11337232 0.79 CFD (0.55) KMT2AMASP2DHODHCFDKDM4E
SCHEMBL4749159 0.79 DHODH (0.69) KMT2AMASP2DHODHCFDKDM4E
SCHEMBL8482276 0.79 KDM4E (0.54) KMT2AMASP2DHODHCFDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025015167-A2 ERASTIN KETONE ANALOGS AND USES THEREOF EXARTA THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
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
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP 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-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO 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 (2 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 L3MBTL1 4767/4885KMT2A 3861/4885MASP2 4610/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 L3MBTL1 4767/4885KMT2A 3861/4885MASP2 4610/4885

“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.