SCHEMBL5258286

SCHEMBL5258286

CN(CCNc1cccnc1C#N)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
CTSL P07711 4/20 0.38
CTSB P07858 4/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
TSHR P16473 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 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
SCHEMBL14433363 0.84 HDAC1 (0.52) HDAC1F13A1TGM2TGM1L3MBTL1
SCHEMBL14377764 0.82 HDAC1 (0.44) HDAC1F13A1TGM2TGM1L3MBTL1
SCHEMBL5259920 0.81 LMNA (0.49) CTSLCTSBCTSSCTSKTGM2
SCHEMBL7368731 0.73 CCR6 (0.50) HDAC1F13A1TGM2TGM1L3MBTL1
SCHEMBL7367495 0.72 ALDH1A1 (0.58) HDAC1F13A1TGM2TGM1L3MBTL1
Hydrochloric Acid SCHEMBL23388381 0.72 CCR6 (0.49) HDAC1F13A1TGM2TGM1L3MBTL1
SCHEMBL5258796 0.72 SLC40A1 (0.36) PLCG1
SCHEMBL22774096 0.71 BTK (0.43) HDAC1F13A1TGM2TGM1L3MBTL1
SCHEMBL7336752 0.71 SHMT2 (0.51) HDAC1L3MBTL1RAB9ATSHRCASP3
SCHEMBL10827358 0.71 LMNA (0.60) CTSLCTSBCTSSCTSKF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 EP disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 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 (1 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 HDAC1 577/4885CTSL 738/4885CTSB 649/4885

“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.