SCHEMBL2263065

SCHEMBL2263065

Cc1cc(Cl)nn2c(C(F)(F)F)nnc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 3/20 0.40
KAT2B Q92831 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CACNA2D1 P54289 1/20 0.31

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
SCHEMBL14832465 0.77 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL15711661 0.77 RXFP1 (0.47) KDM4ESMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL5055978 0.74 ALDH1A1 (0.41) ALDH1A1KAT2BKDM4ESMN1; SMN2
SCHEMBL5060898 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2KAT2BKDM4ESMN1; SMN2
SCHEMBL5055977 0.74 ALDH1A1 (0.41) ALDH1A1KAT2BKDM4ESMN1; SMN2
SCHEMBL9907128 0.74 MEN1 (0.33) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL16244586 0.73 BRD3 (0.43) CYP1A2
Bromide SCHEMBL1187591 0.72 MEN1 (0.32) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL22323375 0.72 ALDH1A1 (0.41) ALDH1A1CYP1A2KAT2BKDM4ESMN1; SMN2
SCHEMBL15690205 0.72 PDE10A (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP claimed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
EP-2760866-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS Genfit (FR) 2014-08-06 EP disclosed
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
WO-2013045519-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2013-04-04 WO disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 US disclosed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 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 (5 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-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 ALDH1A1 560/4885CYP1A2 9/4885KAT2B 4510/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 ALDH1A1 560/4885CYP1A2 9/4885KAT2B 4510/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 ALDH1A1 560/4885CYP1A2 9/4885KAT2B 4510/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 ALDH1A1 447/4885CYP1A2 7/4885KAT2B 4454/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 ALDH1A1 806/4885CYP1A2 111/4885KAT2B 3384/4885

“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.