SCHEMBL3335895

SCHEMBL3335895

CC(C)(C)C(=O)c1ccc2ccc3ccccc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30171486 0.83 PLA2G2D (0.41) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL30937996 0.81 ALDH1A1 (0.47) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL3340090 0.81 ALDH1A1 (0.47) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL14690237 0.80 KDM4E (0.46) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL7036195 0.79 KDM4E (0.62) KDM4EKMT2ALMNAMAPTMMP2
SCHEMBL30578144 0.79 KDM4E (0.52) KDM4EKMT2AMAPK1L3MBTL1LMNA
SCHEMBL29055637 0.79 KDM4E (0.52) KDM4EKMT2AMAPK1L3MBTL1LMNA
SCHEMBL26054459 0.78 MCHR1 (0.53) KDM4EKMT2AL3MBTL1PIM1ALDH1A1
SCHEMBL13322361 0.78 CASP3 (0.37) KDM4EKMT2AMAPK1L3MBTL1ATM
SCHEMBL3336225 0.78 CASP3 (0.37) KDM4EKMT2AMAPK1L3MBTL1ATM

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-10010880-B2 Ligands of the benzo [H] quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2018-07-03 US disclosed
US-10010880-B2 Ligands of the benzo [H] quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2018-07-03 US disclosed
US-10010880-B2 Ligands of the benzo [H] quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2018-07-03 US disclosed
US-20160279624-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-09-29 US disclosed
US-20160279624-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-09-29 US disclosed
US-20160279624-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-09-29 US disclosed
US-9409867-B2 Ligands of the benzo[h]quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-08-09 US disclosed
US-9409867-B2 Ligands of the benzo[h]quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-08-09 US disclosed
US-9409867-B2 Ligands of the benzo[h]quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2016-08-09 US disclosed
US-20140179923-A1 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2014-06-26 US disclosed
US-20140179923-A1 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2014-06-26 US disclosed
US-20140179923-A1 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2014-06-26 US disclosed
US-8614322-B2 Ligands of the benzo [h] quinoline class and transition metal complexes containing them and use of said complexes as catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2013-12-24 US disclosed
EP-2178843-B1 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYST UNIV DEGLI STUDI UDINE (IT) 2013-12-11 EP disclosed
US-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2010-06-17 US disclosed
US-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2010-06-17 US disclosed
US-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2010-06-17 US disclosed
WO-2009007443-A2 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2009-01-15 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 (4 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-20160279624-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS ADH5, KCNQ4, KCNQ5 GABRP 1097/4885GABRD 2484/4885GABRA1 1567/4885
US-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS ADH5, KCNQ4, KCNQ5 GABRP 824/4885GABRD 2616/4885GABRA1 1355/4885
US-20140179923-A1 NEW LIGANDS OF THE BENZO[H]QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS ADH5, ADH4, ADH7 GABRP 820/4885GABRD 2530/4885GABRA1 1404/4885
US-10010880-B2 Ligands of the benzo [H] quinoline class and transition metal complexes containing them and use of said complexes as catalysts ADH5, KCNQ4, KCNQ5 GABRP 1097/4885GABRD 2484/4885GABRA1 1567/4885

“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.