SCHEMBL104961

SCHEMBL104961

CC(C)c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ PHGDH O43175 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.62
▸ HSP90AB1 P08238 1/20 0.62
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ AKR1C3 P42330 1/20 0.60
▸ HPGD P15428 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ FKBP1A P62942 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ TSHR P16473 1/20 0.55

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
SCHEMBL12920008 0.94 ALDH1A1 (0.72) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL10495198 0.88 ALDH1A1 (0.89) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL23080824 0.87 PHGDH (0.59) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL10464513 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL10720943 0.86 PHGDH (0.81) ALDH1A1KMT2AL3MBTL1SMN1; SMN2PHGDH
SCHEMBL23095843 0.85 PHGDH (0.65) ALDH1A1KMT2AL3MBTL1SMN1; SMN2PHGDH
SCHEMBL14094387 0.84 KMT2A (0.65) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL10169258 0.84 ALDH1A1 (0.96) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL1104737 0.84 ALDH1A1 (0.90) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL14200335 0.83 HSP90AA1 (0.58) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 — — WO disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 — — US disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 — — US disclosed
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — US disclosed
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 — — US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 — — US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 — — US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 — — WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 — — US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 — — US 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 (13 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A ALDH1A1 983/4885KMT2A 4505/4885L3MBTL1 4857/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP ALDH1A1 1780/4885KMT2A 2222/4885L3MBTL1 2247/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 4095/4885KMT2A 2566/4885L3MBTL1 2745/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885KMT2A 629/4885L3MBTL1 241/4885
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 ALDH1A1 3556/4885KMT2A 3870/4885L3MBTL1 2918/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ALDH1A1 3139/4885KMT2A 2760/4885L3MBTL1 1926/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 ALDH1A1 2976/4885KMT2A 2133/4885L3MBTL1 17/4885
US-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 ALDH1A1 266/4885KMT2A 55/4885L3MBTL1 2632/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885KMT2A 629/4885L3MBTL1 241/4885
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 ALDH1A1 3807/4885KMT2A 851/4885L3MBTL1 2152/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 ALDH1A1 3889/4885KMT2A 3385/4885L3MBTL1 826/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 ALDH1A1 601/4885KMT2A 1480/4885L3MBTL1 2685/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A ALDH1A1 3217/4885KMT2A 1665/4885L3MBTL1 76/4885

“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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