SCHEMBL4060285

SCHEMBL4060285

O=C(NCC=Cc1ccccc1)c1ccc2cccnc2c1O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 17/20 0.65
▸ ALDH1A1 P00352 1/20 0.56
▸ PIM1 P11309 1/20 0.46

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
SCHEMBL4060281 1.00 EGLN1 (0.65) EGLN1ALDH1A1PIM1
SCHEMBL27888923 0.83 EGLN1 (0.63) EGLN1ALDH1A1PIM1
SCHEMBL2200760 0.79 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL2201326 0.78 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL13848806 0.78 ALDH1A1 (0.52) EGLN1ALDH1A1PIM1
SCHEMBL7689791 0.77 EGLN1 (0.69) EGLN1ALDH1A1
SCHEMBL8310038 0.77 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL7689796 0.76 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL2203862 0.75 EGLN1 (0.74) EGLN1ALDH1A1
SCHEMBL2292957 0.75 EGLN1 (0.86) EGLN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — WO claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 — — EP 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

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 EGLN1 2027/4885ALDH1A1 2855/4885PIM1 1316/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EGLN1 2027/4885ALDH1A1 2855/4885PIM1 1316/4885

“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.

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