SCHEMBL5261845

SCHEMBL5261845

COc1ccccc1CC(=O)Nc1cccnc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.64
▸ MAPT P10636 2/20 0.63
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ GAA P10253 4/20 0.57
▸ GFER P55789 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPK8 P45983 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL23327862 0.86 BRD4 (0.68) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL22734270 0.86 TSHR (0.58) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL28000025 0.85 HSD17B13 (0.55) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL10340271 0.81 KDM4E (0.77) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL1168830 0.78 HSD17B13 (0.53) TSHRMAPTALDH1A1GAAGFER
SCHEMBL8639229 0.78 MAPT (0.71) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL8049389 0.76 MEN1 (0.76) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL31393812 0.76 MEN1 (0.76) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL9295845 0.76 BRD4 (0.58) TSHRMAPTKDM4EALDH1A1GAA
SCHEMBL10340210 0.76 MAPT (0.71) TSHRMAPTKDM4EALDH1A1HSD17B10

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
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 TSHR 1479/4885MAPT 3716/4885KDM4E 1501/4885

“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.

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