SCHEMBL451625

SCHEMBL451625

Cc1ccc(-n2c(CN(C)S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc3c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
HIF1A Q16665 1/20 0.41
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTR7 P34969 3/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL452007 0.93 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL452019 0.93 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450956 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL450854 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL452025 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL449848 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL452467 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL448343 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL451978 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2
SCHEMBL448912 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2TDO2

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 18 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 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 (6 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 ALDH1A1 1108/4885KDM4E 2084/4885MAPT 1670/4885
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885MAPT 4075/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 ALDH1A1 486/4885KDM4E 1779/4885MAPT 2228/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885MAPT 4075/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 ALDH1A1 1335/4885KDM4E 1721/4885MAPT 1618/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 ALDH1A1 1104/4885KDM4E 1573/4885MAPT 1361/4885

“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.