Sugi Predict

Sugi Predict / Compounds / SCHEMBL4058774

SCHEMBL4058774

SCHEMBL4058774

O=C(O)c1nc(C#CCO)c2cccnc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ EGLN1 Q9GZT9 3/20 0.40
▸ KDM4A O75164 2/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM6A O15550 1/20 0.40
▸ TET3 O43151 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ TET2 Q6N021 1/20 0.40
▸ ALKBH5 Q6P6C2 1/20 0.40
▸ TET1 Q8NFU7 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ HIF1AN Q9NWT6 1/20 0.37

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
SCHEMBL4070118 0.82 KDM4E (0.43) KDM4EALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL7100440 0.80 L3MBTL1 (0.45) KDM4EALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL4058216 0.79 EGLN1 (0.44) L3MBTL1EGLN1LMNA
SCHEMBL7258267 0.77 KDM4E (0.53) KDM4EALDH1A1L3MBTL1EGLN1KDM4A
SCHEMBL4071983 0.74 KDM4E (0.56) KDM4EALDH1A1L3MBTL1EGLN1KDM4A
SCHEMBL6646416 0.74 KDM4E (0.49) KDM4EALDH1A1L3MBTL1EGLN1KDM4A
SCHEMBL4061986 0.72 LMNA (0.41) KDM4EALDH1A1L3MBTL1EGLN1RAB9A
SCHEMBL7258791 0.69 KDM4E (0.45) KDM4EALDH1A1L3MBTL1EGLN1KDM4A
SCHEMBL4076243 0.69 KDM4E (0.40) KDM4EALDH1A1L3MBTL1EGLN1KDM4A
SCHEMBL7258792 0.67 KDM4E (0.51) KDM4EALDH1A1L3MBTL1EGLN1KDM4A

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 6 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-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 KDM4E 288/4885ALDH1A1 2855/4885L3MBTL1 1918/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885ALDH1A1 2855/4885L3MBTL1 1918/4885

“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.