SCHEMBL3514925

SCHEMBL3514925

COC(=O)c1cc(Br)cnc1NOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GCK P35557 2/20 0.41
LRRK2 Q5S007 4/20 0.40
OPRK1 P41145 4/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3515762 0.86 LMNA (0.50) ALDH1A1GAALMNAHPGDMAPK1
SCHEMBL16828719 0.81 LMNA (0.49) ALDH1A1GAALMNAHPGDMAPK1
SCHEMBL2027844 0.80 L3MBTL1 (0.55) ALDH1A1GAAHPGDKDM4EPKM
SCHEMBL18616879 0.76 MMP2 (0.49) ALDH1A1GAALMNAMAPK1KDM4E
SCHEMBL3518487 0.76 NPC1 (0.45) ALDH1A1LMNAMAPK1KDM4EPOLB
SCHEMBL3517697 0.74 MEN1 (0.46) ALDH1A1GCK
SCHEMBL16236568 0.74 MAPK1 (0.38) ALDH1A1GAALMNAHPGDMAPK1
SCHEMBL29856041 0.74 OPRK1 (0.48) OPRK1
SCHEMBL3344339 0.74 OPRK1 (0.48) OPRK1
SCHEMBL20872831 0.74 L3MBTL1 (0.65) ALDH1A1GAALMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778305-B Pyridopyrimidinone compound and preparation method and application thereof 山东大学 2021-11-09 CN disclosed
CN-112778305-A Pyridopyrimidone compounds and preparation method and application thereof 山东大学 2021-05-11 CN disclosed
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
CN-105611927-A Compounds for inhibiting drug-resistant strains of HIV-1 integrase US HEALTH (US) 2016-05-25 CN disclosed
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The United States of American, as represented by the Sec, Dept. of Health and Human Services (US) 2016-03-24 US disclosed
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The United States of American, as represented by the Sec, Dept. of Health and Human Services (US) 2016-03-24 US disclosed
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The United States of American, as represented by the Sec, Dept. of Health and Human Services (US) 2016-03-24 US disclosed
EP-2996691-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2016-03-23 EP disclosed
WO-2014186398-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-11-20 WO disclosed
WO-2014186398-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-11-20 WO disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL ALDH1A1 1486/4885GAA 161/4885LMNA 658/4885
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 ALDH1A1 2902/4885GAA 2398/4885LMNA 3099/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 ALDH1A1 2902/4885GAA 2398/4885LMNA 3099/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 ALDH1A1 2902/4885GAA 2398/4885LMNA 3099/4885

“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.