Sugi Predict

Sugi Predict / Compounds / SCHEMBL4059441

SCHEMBL4059441

SCHEMBL4059441

COC(=O)c1nc(C#CCN2CCCCC2)c2cccnc2c1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 6/20 0.39
▸ LMNA P02545 5/20 0.39
▸ TP53 P04637 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MITF O75030 2/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 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
SCHEMBL4061986 0.85 LMNA (0.41) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4057482 0.81 LMNA (0.38) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4065344 0.79 LMNA (0.44) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4063866 0.77 LMNA (0.50) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL13848750 0.75 LMNA (0.46) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4062503 0.75 LMNA (0.48) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4067451 0.74 LMNA (0.47) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4069521 0.70 LMNA (0.41) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7100440 0.68 L3MBTL1 (0.45) HTTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4059710 0.67 LMNA (0.53) HTTMAPTSMN1; SMN2KDM4ELMNA

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 4 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
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US 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 HTT 3904/4885MAPT 2944/4885SMN1; SMN2 3370/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA HTT 3904/4885MAPT 2944/4885SMN1; SMN2 3370/4885

“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.