SCHEMBL4069169

SCHEMBL4069169

CC(C)OC(=O)c1ncccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
ELANE P08246 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL28241780 0.89 MAPT (0.50) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL4147133 0.86 KDM4E (0.61) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL2372518 0.82 L3MBTL1 (0.57) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL28428672 0.79 KDM4E (0.61) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL9944385 0.79 ELANE (0.46) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL9944379 0.79 P2RX7 (0.56) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL967834 0.78 ELANE (0.46) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL28430192 0.78 GRM4 (0.43) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL28423158 0.78 MAPT (0.46) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL2223051 0.78 LMNA (0.56) MAPTKDM4ENPSR1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
EP-0557375-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE Astra Aktiebolag (SE) 1993-09-01 EP disclosed
WO-1992008724-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AKTIEBOLAGET ASTRA (SE) 1992-05-29 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 (2 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA MAPT 2944/4885KDM4E 288/4885NPSR1 3896/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA MAPT 2944/4885KDM4E 288/4885NPSR1 3896/4885

“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.