SCHEMBL72428

SCHEMBL72428

O=C(O)c1cc(-c2ccc(F)cc2)on1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
PTPN1 P18031 2/20 0.70
MAPT P10636 4/20 0.64
HPGD P15428 1/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
TP53 P04637 2/20 0.61
HTT P42858 2/20 0.61
CDH1 P12830 1/20 0.59
CTNNB1 P35222 1/20 0.59
TCF7L2 Q9NQB0 1/20 0.59
HDAC6 Q9UBN7 4/20 0.58
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
MEN1 O00255 1/20 0.53
HDAC3 O15379 1/20 0.53

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
SCHEMBL11903419 0.84 NPC1 (0.60) ALDH1A1MAPTRAB9ANPC1TP53
SCHEMBL2791692 0.84 RAB9A (0.60) ALDH1A1MAPTRAB9ANPC1TP53
SCHEMBL11902332 0.84 ALDH1A1 (0.62) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL72786 0.84 ALDH1A1 (1.00) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL71299 0.83 ALDH1A1 (1.00) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL11902348 0.83 PTPN1 (0.66) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL1178695 0.82 ALDH1A1 (0.72) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL892967 0.82 CDH1 (0.82) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL3227675 0.82 PTPN1 (1.00) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL892878 0.82 ALDH1A1 (0.72) ALDH1A1PTPN1MAPTHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
CN-101778845-A Pharmaceutical composition comprising isoxazole derivatives for the prevention and treatment of restenosis SK HOLDINGS CO LTD 2010-07-14 CN claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
EP-2170876-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK Holdings Co., Ltd. (KR) 2010-04-07 EP claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
CN-115716822-B Application of benzimidazolyl isoxazoles in preparation of medicines related to multiple myeloma 徐州医科大学 2025-05-16 CN disclosed
US-20250049035-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-02-13 US disclosed
EP-4448534-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES Syngenta Crop Protection AG (CH) 2024-10-23 EP disclosed
WO-2009005269-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2009-01-08 WO disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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 (5 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885PTPN1 4580/4885MAPT 3595/4885
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS ALDH1A1 957/4885PTPN1 599/4885MAPT 4662/4885
US-20250049035-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES NOX1, CASP1, CYP1A1 ALDH1A1 954/4885PTPN1 356/4885MAPT 782/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 784/4885PTPN1 4658/4885MAPT 3456/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885PTPN1 2026/4885MAPT 2497/4885

“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.