SCHEMBL4069328

SCHEMBL4069328

COC(=O)CNS(=O)(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP1 P29466 4/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TGM2 P21980 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45

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
SCHEMBL4420152 0.84 LMNA (0.58) LMNASMN1; SMN2CASP1HTTL3MBTL1
SCHEMBL2065470 0.81 SMN1; SMN2 (0.59) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL26745192 0.80 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15470675 0.80 LMNA (0.53) LMNASMN1; SMN2CASP1HTTL3MBTL1
SCHEMBL4409743 0.79 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL2516832 0.78 HTT (0.66) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL4061201 0.78 LMNA (0.65) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL17530966 0.78 HTT (0.62) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13737795 0.78 HTT (0.58) LMNASMN1; SMN2CASP1HTTL3MBTL1
SCHEMBL6401410 0.77 CA1 (0.54) LMNASMN1; SMN2HTTL3MBTL1MAPT

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 1649/4885SMN1; SMN2 3370/4885CASP1 2080/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA LMNA 1649/4885SMN1; SMN2 3370/4885CASP1 2080/4885

“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.