SCHEMBL5228962

SCHEMBL5228962

O=C(NCCc1c[nH]c2ccccc12)c1ccc2cccnc2c1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.65
PTGS1 P23219 4/20 0.65
SIRT1 Q96EB6 2/20 0.65
EGLN1 Q9GZT9 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
POLB P06746 2/20 0.58
KDM4A O75164 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
ATM Q13315 1/20 0.57
MAPT P10636 1/20 0.56

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
SCHEMBL5227264 0.86 MEN1 (0.59) PTGS2PTGS1SIRT1MEN1KMT2A
SCHEMBL28674794 0.85 PTGS2 (0.75) PTGS2PTGS1SIRT1MEN1KMT2A
SCHEMBL8309972 0.84 EGLN1 (0.71) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL5231051 0.82 PTGS2 (0.77) PTGS2PTGS1SIRT1MEN1KMT2A
SCHEMBL7951114 0.79 EGLN1 (0.71) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL7956952 0.79 MEN1 (0.79) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL28409319 0.79 PTGS1 (1.00) PTGS2PTGS1SIRT1MEN1KMT2A
SCHEMBL8310038 0.79 EGLN1 (1.00) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL28641186 0.78 PTGS1 (0.67) PTGS2PTGS1SIRT1MEN1KMT2A
SCHEMBL9276493 0.78 MEN1 (1.00) PTGS2PTGS1SIRT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP claimed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP claimed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US claimed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-6500842-B1 N-((4-CHLOROPHENYL)METHYL)-8-HYDROXY-7-QUINOLINECARBOXAMIDE ADMINISTERED AS VIRICIDES AGAINST HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP claimed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO claimed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US disclosed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP disclosed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US disclosed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
US-6310211-B1 ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 PHARMACIA & UPJOHN COMPANY 2001-10-30 US disclosed
US-6252080-B1 HERPES, CYTOMEGALO VIRUS PHARMACIA & UPJOHN COMPANY 2001-06-26 US disclosed
US-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 US disclosed
EP-0927164-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-07 EP disclosed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 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 (1 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-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors POLI, DUT, NAAA PTGS2 2974/4885PTGS1 2931/4885SIRT1 328/4885

“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.