SCHEMBL18809237

SCHEMBL18809237

N#Cc1ccc(Oc2ccc(Br)c(C=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43
SCN9A Q15858 11/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP19A1 P11511 1/20 0.40
CA12 O43570 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL29429144 1.00 PARP15 (0.44) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL28874965 0.84 PARP15 (0.41) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL22053624 0.84 PARP15 (0.46) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL16555444 0.83 EPAS1 (0.50)
SCHEMBL2531379 0.82 AR (0.45) CYP19A1KCNH2MERTK
SCHEMBL2528151 0.82 EPAS1 (0.40) CA1CA2CA9CA12KCNH2
SCHEMBL2529786 0.82 PDE4B (0.46) KDM4ELMNAPOLBMAPTMAPK1
SCHEMBL1351408 0.81 RAD51 (0.42) MEN1LMNAKMT2ACA1CA2
SCHEMBL11490625 0.80 LMNA (0.50) MEN1LMNAKMT2ACA1CA2
SCHEMBL21064823 0.80 SOS1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018115362-A1 PROCESS FOR PREPARING 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)OXY]BENZONITRILE (CRISABOROLE) LABORATORIOS LESVI, SL (ES) 2018-06-28 WO claimed
WO-2024094235-A1 USE OF BENZOXABOROLE-BASED COMPOUNDS IN THERAPY OF DISEASES CAUSED BY AMOEBAS OF THE NAEGLERIA GENUS UNIVERZITA KARLOVA (CZ) 2024-05-10 WO disclosed
CN-113801089-B Preparation method of clenbuterol intermediate 鲁南制药集团股份有限公司 2024-03-15 CN disclosed
CN-113387971-B Synthesis method of clenbuterol 安徽普利药业有限公司 2023-10-27 CN disclosed
CN-116925117-A Preparation method of clenbuterol and intermediate thereof 浙江九洲药业股份有限公司 2023-10-24 CN disclosed
US-11708382-B2 Process for the preparation of highly pure Crisaborole HALCYON LABS PRIVATE LIMITED (IN) 2023-07-25 US disclosed
US-11708382-B2 Process for the preparation of highly pure Crisaborole HALCYON LABS PRIVATE LIMITED (IN) 2023-07-25 US disclosed
CN-116239498-B Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-07-21 CN disclosed
CN-116253756-B Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-07-18 CN disclosed
CN-116253756-A Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-06-13 CN disclosed
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-04-20 US disclosed
US-20210070778-A1 NOVEL PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LIMITED (IN) 2021-03-11 US disclosed
CN-109456347-B Preparation method of clitorium 安徽省庆云医药股份有限公司 2021-02-05 CN disclosed
EP-3737685-A1 PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES Halcyon Labs Private Limited (IN) 2020-11-18 EP disclosed
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE GLENMARK LIFE SCIENCES LIMITED (IN) 2020-06-04 US disclosed
US-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD., (IN) 2020-02-27 US disclosed
WO-2018224923-A1 PROCESS FOR PREPARATION OF CRISABOROLE GLENMARK PHARMACEUTICALS LIMITED (IN) 2018-12-13 WO disclosed
WO-2018115362-A1 PROCESS FOR PREPARING 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)OXY]BENZONITRILE (CRISABOROLE) LABORATORIOS LESVI, SL (ES) 2018-06-28 WO disclosed
WO-2018115362-A1 PROCESS FOR PREPARING 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)OXY]BENZONITRILE (CRISABOROLE) LABORATORIOS LESVI, SL (ES) 2018-06-28 WO disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 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 (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-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) CYP4B1, CYP8B1, CYP4X1 PARP15 2149/4885PARP10 3031/4885PARP2 2340/4885
US-20210070778-A1 NOVEL PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES UGT2B17, SQLE, CYP11B1 PARP15 1308/4885PARP10 2114/4885PARP2 4072/4885
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE CFB, F13B, C9 PARP15 1819/4885PARP10 3652/4885PARP2 2961/4885
US-11708382-B2 Process for the preparation of highly pure Crisaborole SQLE, UGT2B17, CYP2C19 PARP15 1370/4885PARP10 2750/4885PARP2 4160/4885
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) CYP4B1, CYP8B1, SQLE PARP15 1896/4885PARP10 3047/4885PARP2 2074/4885

“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.