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Sugi Predict / Compounds / SCHEMBL4057482

SCHEMBL4057482

SCHEMBL4057482

COC(=O)c1nc(C#CCOS(C)(=O)=O)c2cccnc2c1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HTT P42858 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 6/20 0.34
▸ SLC40A1 Q9NP59 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL4061986 0.87 LMNA (0.41) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4065344 0.81 LMNA (0.44) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4063866 0.78 LMNA (0.50) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL13848750 0.77 LMNA (0.46) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4062503 0.76 LMNA (0.48) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4067451 0.75 LMNA (0.47) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4069521 0.71 LMNA (0.41) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4059710 0.68 LMNA (0.53) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL7100946 0.66 LMNA (0.51) LMNAMETAP2METAP1HDAC6HTT
SCHEMBL4061470 0.65 ALDH1A1 (0.53) LMNAMETAP2METAP1HDAC6HTT

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 LMNA 1649/4885METAP2 3562/4885METAP1 3436/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA LMNA 1649/4885METAP2 3562/4885METAP1 3436/4885

“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.