SCHEMBL453435

SCHEMBL453435

CC(Cl)C(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ AKR1C2 P52895 2/20 0.51
▸ AKR1C1 Q04828 2/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ APEX1 P27695 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ METAP2 P50579 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TRPM2 O94759 1/20 0.46
▸ KCNK2 O95069 1/20 0.46
▸ KCNK10 P57789 1/20 0.46
▸ DNMT3A Q9Y6K1 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
SCHEMBL450181 0.85 ALDH1A1 (0.61) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL111313 0.79 ALDH1A1 (0.76) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL449366 0.78 L3MBTL1 (0.58) POLBKDM4ETDP1ALDH1A1MEN1
SCHEMBL7544693 0.76 KDM4E (0.59) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL19585925 0.75 AAK1 (0.52) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL19585926 0.75 AAK1 (0.52) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL1323012 0.75 APEX1 (0.58) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL17166275 0.74 AKR1C2 (0.73) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL24054660 0.74 APEX1 (0.61) POLBKDM4ETDP1AKR1C2AKR1C1
SCHEMBL14339913 0.74 POLB (0.56) POLBKDM4ETDP1AKR1C2AKR1C1

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 6 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
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-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 POLB 3961/4885KDM4E 3717/4885TDP1 4440/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885KDM4E 3717/4885TDP1 4440/4885

“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.

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