SCHEMBL45690

SCHEMBL45690

CC(=O)c1cc(C)c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
DAO P14920 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GSK3B P49841 3/20 0.38
PNMT P11086 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL1472954 0.83 DAO (0.63) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL1630492 0.81 KDR (0.42) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL2043829 0.80 GSK3B (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15988677 0.79 GSK3B (0.48) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL23617317 0.79 GSK3B (0.44) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL261464 0.78 CSNK2A2 (0.45) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL12294979 0.78 GSK3B (0.67) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL22870146 0.78 KDM4E (0.54) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL14523581 0.78 DAO (0.38) MAPTDAOKDM4EMEN1KMT2A
SCHEMBL24322051 0.78 MAPT (0.38) MAPTDAOKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800960-A Preparation method of isoxazoline anthelmintic rotigorskite 常州齐晖药业有限公司 2024-04-02 CN claimed
US-12552757-B2 NRF2-activating compound SENJU PHARMACEUTICAL CO., LTD. (JP) 2026-02-17 US disclosed
CN-120040438-A Isoxazole antiparasitic agents Synthesis method of medicine lotirana 华南农业大学 2025-05-27 CN disclosed
US-12304903-B2 Process for making an isoxazoline compound and intermediate thereof ELANCO US INC. (US) 2025-05-20 US disclosed
CN-119798241-A Method for simply and conveniently preparing high-purity rotigorskite 北京元延医药科技股份有限公司 2025-04-11 CN disclosed
US-20250109125-A1 PROCESS FOR MAKING AN ISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF ELANCO US INC. 2025-04-03 US disclosed
US-20240308993-A1 PROCESS FOR MAKING DIARYL ISOXAZOLINE DERIVATIVE ELANCO US INC. 2024-09-19 US disclosed
EP-4384514-A1 PROCESS FOR MAKING DIARYL ISOXAZOLINE DERIVATIVE ELANCO US INC. (US) 2024-06-19 EP disclosed
US-20240132519-A1 NRF2-ACTIVATING COMPOUND SENJU PHARMACEUTICAL CO., LTD. (JP) 2024-04-25 US disclosed
CN-117813303-A Process for preparing diaryl isoxazoline derivatives 礼蓝美国公司 2024-04-02 CN disclosed
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed
EP-2379537-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-10-26 EP disclosed
US-20110245239-A1 ORGANIC COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2011-10-06 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
WO-2010070068-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-24 WO disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (8 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-20250109125-A1 PROCESS FOR MAKING AN ISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, CYP4Z1, CYP2A7 MAPT 2911/4885DAO 296/4885KDM4E 668/4885
US-20240308993-A1 PROCESS FOR MAKING DIARYL ISOXAZOLINE DERIVATIVE CYP3A7, CYP1B1, CYP1A2 MAPT 3715/4885DAO 781/4885KDM4E 1579/4885
US-12552757-B2 NRF2-activating compound NFE2L2, NFE2, KEAP1 MAPT 2863/4885DAO 2771/4885KDM4E 1987/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 MAPT 1355/4885DAO 3209/4885KDM4E 859/4885
US-20240132519-A1 NRF2-ACTIVATING COMPOUND NFE2L2, KEAP1, NFE2 MAPT 2512/4885DAO 2854/4885KDM4E 3587/4885
US-20110245239-A1 ORGANIC COMPOUNDS ACHE, VDAC1, VDAC2 MAPT 1342/4885DAO 270/4885KDM4E 2444/4885
US-12304903-B2 Process for making an isoxazoline compound and intermediate thereof CYP3A7, CYP4Z1, CYP2A7 MAPT 2911/4885DAO 296/4885KDM4E 668/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS MAPT 4007/4885DAO 1805/4885KDM4E 1502/4885

“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.