SCHEMBL5259346

SCHEMBL5259346

COC(=O)CC(=O)Nc1cccnc1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
MAPK10 P53779 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL1991248 0.89 BRD4 (0.76) BRD4L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL29694632 0.89 BRD4 (0.76) BRD4L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL13818079 0.88 BRD4 (0.66) BRD4L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL22275075 0.82 HSD17B10 (0.63) BRD4L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL30101903 0.82 HSD17B10 (0.63) BRD4L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL8692725 0.82 BRD4 (0.58) BRD4KMT2AALDH1A1LMNAMAPK10
SCHEMBL28751799 0.81 BRD4 (0.56) BRD4L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL1169159 0.81 BRD4 (0.56) BRD4L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL1894761 0.78 L3MBTL1 (0.58) BRD4L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL12605100 0.78 BRD4 (0.53) BRD4L3MBTL1KMT2AALDH1A1LMNA

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 9 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-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 BRD4 895/4885L3MBTL1 175/4885KMT2A 461/4885

“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.