SCHEMBL3336502

SCHEMBL3336502

Brc1ccc2ccc3ccccc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HPRT1 P00492 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL28459376 0.90 HPRT1 (0.56) CYP2A6ALDH1A1HSD17B10TDP1TSHR
SCHEMBL14884180 0.80 CCR1 (0.33) TDP1TSHRRAB9AHIF1AMAPT
SCHEMBL15761471 0.78 NQO2 (0.39) CYP2A6ALDH1A1HSD17B10TDP1TSHR
SCHEMBL28633687 0.78 ALDH1A1 (0.43) CYP2A6ALDH1A1HSD17B10TDP1TSHR
SCHEMBL31339253 0.78 ALDH1A1 (0.43) CYP2A6ALDH1A1HSD17B10TDP1TSHR
SCHEMBL57528 0.77 CCR1 (0.43) CYP2A6TDP1TSHRRAB9AHIF1A
SCHEMBL14884168 0.75 CCR1 (0.56) ALDH1A1TDP1TSHRNPC1RAB9A
SCHEMBL31493925 0.75 CCR1 (0.42) CYP2A6TDP1TSHRRAB9AHIF1A
SCHEMBL30657716 0.74 BACE1 (0.63) CYP2A6ALDH1A1HSD17B10TDP1TSHR
SCHEMBL339928 0.74 BACE1 (0.63) CYP2A6ALDH1A1HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO 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-20180090694-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-03-29 — — US disclosed
US-9876180-B2 Organic light emitting device and display device having the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-23 — — US disclosed
US-9876180-B2 Organic light emitting device and display device having the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-23 — — US disclosed
US-9876180-B2 Organic light emitting device and display device having the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-23 — — 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-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 CYP2A6 1374/4885ALDH1A1 448/4885HSD17B10 1640/4885
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 CYP2A6 1367/4885ALDH1A1 515/4885HSD17B10 1738/4885
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 CYP2A6 1242/4885ALDH1A1 450/4885HSD17B10 1341/4885
US-20180090694-A1 METAL COMPLEXES AP3M1, AP2M1, AP1M1 CYP2A6 3853/4885ALDH1A1 2839/4885HSD17B10 3462/4885

“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.

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