SCHEMBL133561

SCHEMBL133561

Ic1ccc(N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 5/20 0.58
▸ L3MBTL1 Q9Y468 5/20 0.58
▸ ALOX15 P16050 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.52

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
SCHEMBL10320300 1.00 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL625677 0.97 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL18815076 0.92 LTA4H (0.52) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL14345952 0.87 AKR1C3 (0.57) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL6887590 0.87 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL2174173 0.84 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1ALOX15NPC1
Hydrochloric Acid SCHEMBL29475563 0.81 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL17642581 0.81 AKR1C3 (0.57) ALDH1A1MAPTALOX15NPC1RAB9A
SCHEMBL31013493 0.79 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL24518338 0.79 CHKA (0.62) ALDH1A1MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121064189-B Synthesis method of apixaban 广东工业大学 2026-05-19 — — CN claimed
CN-121064189-B Synthesis method of apixaban 广东工业大学 2026-05-19 — — CN disclosed
CN-121064189-B Synthesis method of apixaban 广东工业大学 2026-05-19 — — CN disclosed
CN-121064189-A Synthesis method of apixaban 广东工业大学 2025-12-05 — — CN disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
CN-117486787-A Preparation method of apixaban intermediate 江苏阿尔法药业股份有限公司 2024-02-02 — — CN disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
WO-2021162115-A1 LAMINATE, DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE 富士フイルム株式会社 2021-08-19 — — WO disclosed
WO-2021132674-A1 LIGHT ABSORBING FILTER, OPTICAL FILTER, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE 富士フイルム株式会社 2021-07-01 — — WO disclosed
WO-2021014973-A1 WAVELENGTH-SELECTIVE ABSORPTION FILTER AND ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE 富士フイルム株式会社 2021-01-28 — — WO disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 — — EP disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 — — US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 — — WO disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 — — EP disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 — — WO disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 — — WO disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 — — US disclosed
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 — — US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 — — EP disclosed
US-3956334-A CHOLESTEROL AND TRIGLYCERIDE LOWERING ACTIVITY IN BLOOD MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-05-11 — — 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 (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-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ALDH1A1 52/4885MAPT 2306/4885L3MBTL1 4397/4885

“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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