SCHEMBL1522564

SCHEMBL1522564

CCOC(=O)c1cccnc1NOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
PPIA P62937 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.58
POLB P06746 1/20 0.52
TSHR P16473 3/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TP53 P04637 1/20 0.46
MAPK10 P53779 1/20 0.45

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
SCHEMBL2027844 0.88 L3MBTL1 (0.55) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL17181734 0.86 HTT (0.53) HTTPPIAL3MBTL1ALDH1A1MAPT
SCHEMBL3515532 0.85 PPIA (0.51) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL2027375 0.84 DHODH (0.55) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL16274738 0.83 AGTR1 (0.48) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL2087990 0.82 HTT (0.65) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL1522864 0.81 HTT (0.57) HTTPPIAL3MBTL1TSHRRAB9A
SCHEMBL16274916 0.81 RAB9A (0.53) HTTPPIAL3MBTL1POLBTSHR
SCHEMBL15846056 0.80 ALDH1A1 (0.58) HTTPPIAL3MBTL1TSHRNPSR1
SCHEMBL1522683 0.80 MAPT (0.62) HTTPPIAL3MBTL1POLBTSHR

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
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-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-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
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US 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
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US 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 (9 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885L3MBTL1 3382/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL HTT 1148/4885PPIA 3083/4885L3MBTL1 2155/4885
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 HTT 3132/4885PPIA 4300/4885L3MBTL1 592/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885L3MBTL1 3382/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 HTT 3132/4885PPIA 4300/4885L3MBTL1 592/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 HTT 4340/4885PPIA 794/4885L3MBTL1 3505/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT HTT 3990/4885PPIA 711/4885L3MBTL1 3856/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885L3MBTL1 3382/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 HTT 3132/4885PPIA 4300/4885L3MBTL1 592/4885

“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.