SCHEMBL460243

SCHEMBL460243

NC(=O)c1nc[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.42
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
PARP1 P09874 5/20 0.37
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
SLC2A1 P11166 1/20 0.33
PAX8 Q06710 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
PDPK1 O15530 1/20 0.33
CA12 O43570 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL52380 0.82 CYP2C19 (0.48) BCL2MCL1ALDH1A1ERCC1FEN1
SCHEMBL26672974 0.78 GDA (0.41) GDABCL2MCL1ALDH1A1PARP1
SCHEMBL343999 0.77 GDA (0.63) GDAALDH1A1PARP1CYP2C19HSD17B10
SCHEMBL3025277 0.77
SCHEMBL823314 0.76 ERCC1 (0.47) BCL2MCL1ALDH1A1ERCC1FEN1
Hydrochloric Acid SCHEMBL10712747 0.75 GDA (0.45) GDAALDH1A1PARP1CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL3986298 0.75 GDA (0.61) GDAALDH1A1PARP1CYP2C19HSD17B10
Water SCHEMBL11020981 0.75 GDA (0.45) GDAALDH1A1PARP1CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL16467994 0.73 GDA (0.44) GDAALDH1A1PARP1CYP2C19HSD17B10
SCHEMBL8024 0.72

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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
EP-3548031-B1 TRICYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-19 EP disclosed
US-11358711-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-14 US disclosed
EP-3377065-B1 SPIROCYCLIC PYRIDOTRIAZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-05-18 EP disclosed
CN-110214142-B Tetracyclic heterocyclic compounds useful as HIV integrase inhibitors 默沙东公司 2022-04-01 CN disclosed
EP-3397639-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3389380-B1 SPIROCYCLIC QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-07-21 EP disclosed
EP-3377066-B1 AMIDO-SUBSTITUTED PYRIDOTRIAZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
US-10934312-B2 Tricyclic heterocycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-03-02 US disclosed
EP-3330272-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-17 EP disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
WO-2004058756-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
WO-2004047725-A2 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO. INC. (US) 2004-06-10 WO disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 WO disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 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 (4 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 GDA 224/4885BCL2 2022/4885MCL1 1385/4885
US-11358711-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors TYMP, IDH1, CCNE1 GDA 299/4885BCL2 2514/4885MCL1 1139/4885
US-10934312-B2 Tricyclic heterocycle compounds useful as HIV integrase inhibitors CCNY, CDK11A, TK1 GDA 99/4885BCL2 3237/4885MCL1 1979/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 GDA 792/4885BCL2 4644/4885MCL1 3250/4885

“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.