SCHEMBL448885

SCHEMBL448885

Cc1ccc(-n2c(C(C)N(C)C(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.54
CXCR3 P49682 2/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.42
HCRTR1 O43613 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL449751 0.95 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL450532 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL452237 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL451852 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL449456 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL448566 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL449305 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL449502 0.90 CXCR3 (0.51) CXCR3
SCHEMBL450155 0.89 MAPT (0.43) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL454261 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHTTHPGD

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 21 patents — showing the first 20. 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-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-08-31 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-9649312-B2 Compositions and methods of treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2017-05-16 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2016-11-10 US disclosed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-07-25 US disclosed
US-8349853-B2 Detection defect in gene expression of hedgehog gene; diagnosis of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2013-01-08 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-2329822-A1 Compositions and methods of treatment of cancer Minerva Biotechnologies Corporation (US) 2011-06-08 EP disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
EP-2116248-A1 Compositions and Methods of Treatment of Cancer Minerva Biotechnologies Corporation (US) 2009-11-11 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 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 (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-20160324858-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 ALDH1A1 833/4885KDM4E 3917/4885GAA 2593/4885
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885GAA 1879/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885KDM4E 3717/4885GAA 1879/4885
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MUC1, CD44, TP53 ALDH1A1 674/4885KDM4E 4298/4885GAA 3187/4885
US-20130190495-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 ALDH1A1 833/4885KDM4E 3917/4885GAA 2593/4885
US-20170246168-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CANCER MUC1, TP53, BRCA1 ALDH1A1 833/4885KDM4E 3917/4885GAA 2593/4885

“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.