SCHEMBL1896645

SCHEMBL1896645

Nc1cnccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
THRB P10828 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
AOC1 P19801 2/20 0.43
AOC3 Q16853 2/20 0.43
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
LMNA P02545 2/20 0.36

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
SCHEMBL29957033 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL29958176 0.82 GAA (0.46) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL361105 0.82 GAA (0.46) ALDH1A1MAPTKDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL29956207 0.80 GAA (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL1301715 0.80 GAA (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL29952734 0.74 KDM4E (0.38) KDM4ETDP1KDM4CEP300KAT2B
SCHEMBL22489854 0.74 KDM4E (0.38) KDM4ETDP1KDM4CEP300KAT2B
SCHEMBL708913 0.74 SIRT3 (0.41) MAPTTDP1GAACYP2D6CYP1A2
SCHEMBL115776 0.73 GAA (0.46) MAPTKDM4ETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL14797240 0.73 SIRT3 (0.39) TDP1GAACYP2D6CYP1A2CYP3A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK KGAA (DE) 2022-01-13 US disclosed
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
EP-2501695-B1 1,4-BENZODIAZEPINE-2,5-DIONES AND RELATED COMPOUNDS WITH THERAPEUTIC PROPERTIES UNIV MICHIGAN REGENTS (US) 2018-08-29 EP disclosed
US-8815845-B2 1,4-benzodiazepine-2,5-diones and related compounds with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-26 US disclosed
US-20120270862-A1 1,4-BENZODIAZEPINE-2,5-DIONES AND RELATED COMPOUNDS WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-25 US disclosed
EP-2501695-A2 1,4-BENZODIAZEPINE-2,5-DIONES AND RELATED COMPOUNDS WITH THERAPEUTIC PROPERTIES The Regents Of The University Of Michigan (US) 2012-09-26 EP disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 EP disclosed
WO-2011062766-A2 1,4-BENZODIAZEPINE-2,5-DIONES AND RELATED COMPOUNDS WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-26 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-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2C19, ESR1 ALDH1A1 175/4885MAPT 2534/4885KDM4E 2524/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR ALDH1A1 2301/4885MAPT 1950/4885KDM4E 949/4885
US-20120270862-A1 1,4-BENZODIAZEPINE-2,5-DIONES AND RELATED COMPOUNDS WITH THERAPEUTIC PROPERTIES ROCK1, ROCK2, GABRR1 ALDH1A1 1853/4885MAPT 1355/4885KDM4E 999/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 ALDH1A1 1189/4885MAPT 1383/4885KDM4E 2773/4885

“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.