SCHEMBL450181

SCHEMBL450181

COC(=O)c1cc(Br)ccc1NC(=O)C(C)Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ GAA P10253 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LPAR1 Q92633 1/20 0.41

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
SCHEMBL29441244 0.88 ALDH1A1 (0.64) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL22636373 0.88 ALDH1A1 (0.64) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL453435 0.85 POLB (0.55) ALDH1A1GAAKDM4EMAPK1MEN1
SCHEMBL28329059 0.81 ALDH1A1 (0.56) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL5899451 0.80 ALDH1A1 (0.67) ALDH1A1GAAKDM4EL3MBTL1HTT
SCHEMBL2474712 0.80 ALDH1A1 (0.58) ALDH1A1GAAKDM4EHPGDABCG2
SCHEMBL22660771 0.80 ALDH1A1 (0.68) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL448609 0.79 TSHR (0.65) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL20788712 0.77 ALDH1A1 (0.52) ALDH1A1GAAKDM4EMAPK1HPGD
SCHEMBL29971413 0.77 ALDH1A1 (0.52) ALDH1A1GAAKDM4EMAPK1HPGD

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 ALDH1A1 3161/4885GAA 1879/4885KDM4E 3717/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885GAA 1879/4885KDM4E 3717/4885

“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.

Send feedback