SCHEMBL4749492

SCHEMBL4749492

CC(O)CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL5085693 1.00 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL1495136 1.00 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952697 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952567 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952590 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952589 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952565 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952580 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952600 0.99 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952621 0.88 HSD17B10 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001032156-A2 METHODS FOR TREATING FIBROPROLIFERATIVE DISEASES DALHOUSIE UNIVERSITY (CA) 2001-05-10 — — WO claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO claimed
EP-0232438-A1 Use of xanthine derivatives for host defense mechanism enhancement HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1987-08-19 — — EP claimed
EP-3242668-A1 PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES Imprimis Pharmaceuticals Inc. (US) 2017-11-15 — — EP disclosed
WO-2016111885-A1 PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES IMPRIMIS PHARMACEUTICALS, INC. (US) 2016-07-14 — — WO disclosed
WO-2013159006-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-10-24 — — WO disclosed
WO-2008118390-A2 BIOMARKERS FOR DIAGNOSTIC AND THERAPEUTIC METHODS WAYNE STATE UNIVERSITY (US) 2008-10-02 — — WO disclosed
WO-2008118387-A2 ERYTHROCYTE ATP-RELEASE MODULATORS WAYNE STATE UNIVERSITY (US) 2008-10-02 — — WO disclosed
EP-1583971-A2 MODULATION OF DEUBIQUITINASE FAMILY MEMBERS TopoTarget UK Limited (GB) 2005-10-12 — — EP disclosed
WO-2004064711-A2 MODULATION OF DEUBIQUITINASE FAMILY MEMBERS TOPOTARGET UK LIMITED (GB) 2004-08-05 — — WO disclosed
US-20030216414-A1 Method for preventing tissue injury from hypoxia CELL THERAPEUTICS,INC. 2003-11-20 — — US disclosed
WO-1994015605-A1 ACETAL OR KETAL SUBSTITUTED THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
WO-1994011370-A1 SUBSTITUTED AMINO ALKYL COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
EP-0584347-A1 ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-02 — — EP disclosed
WO-1993017684-A2 ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS CELL THERAPEUTICS, INC. (US) 1993-09-16 — — WO disclosed
WO-1992007566-A2 ANTIFUNGAL ACTIVITY OF AND PREVENTION OF DRUG INDUCED NEPHROTOXICITY BY METHYLXANTHINE ANALOGUES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-14 — — WO disclosed
EP-0252487-B1 PACKAGE CONTAINING DRUG COMBINATIONS FOR SUCCESSIVE ADMINISTRATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-08 — — EP disclosed
EP-0252487-A2 Package containing drug combinations for successive administration HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 — — EP 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-20030216414-A1 Method for preventing tissue injury from hypoxia HIF1AN, LPCAT3, PLAAT2 L3MBTL1 339/4885GAA 1199/4885HSD17B10 1845/4885

“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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