SCHEMBL4393702

SCHEMBL4393702

COc1ccc(NCC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 2/20 0.57
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA7 P43166 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL1797197 0.83 MAPT (0.59) MAPTGAACA1CA2CA12
SCHEMBL8702369 0.83 MAPT (0.59) MAPTGAACA1CA2CA12
Hydrochloric Acid SCHEMBL3655605 0.83 MAPT (0.59) MAPTGAACA1CA2CA12
SCHEMBL9779998 0.83 MAPT (0.59) MAPTGAACA1CA2CA12
SCHEMBL9645505 0.82 CA1 (0.54) MAPTGAACA1CA2CA12
SCHEMBL6905909 0.82 MAPT (0.53) MAPTGAACA1CA2CA12
SCHEMBL5438871 0.82 CA1 (0.56) MAPTGAACA1CA2CA12
Hydrochloric Acid SCHEMBL9527013 0.81 MAPT (0.57) MAPTGAACA1CA2CA12
Hydrochloric Acid SCHEMBL5122021 0.81 MAPT (0.57) MAPTGAACA1CA2CA12
SCHEMBL1180270 0.80 CA1 (0.76) MAPTGAACA1CA2CA12

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 25 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-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 EP disclosed
EP-0030848-B1 PHARMACOLOGICALLY ACTIVE PEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1985-02-13 EP disclosed
EP-0030846-B1 PHARMACOLOGICALLY ACTIVE PEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-09 EP disclosed
US-4351763-A Pharmacologically active peptides ELI LILLY AND COMPANY (US) 1982-09-28 US disclosed
US-4283329-A ANALGESICS ELI LILLY AND COMPANY (US) 1981-08-11 US disclosed
EP-0030848-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
EP-0030846-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
US-4251439-A ENKEPHALIN ANALOGS AS ANALGESICS ELI LILLY AND COMPANY (US) 1981-02-17 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 (2 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 MAPT 2497/4885GAA 1611/4885CA1 4150/4885
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAPT 1422/4885GAA 143/4885CA1 2569/4885

“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.