SCHEMBL3382156

SCHEMBL3382156

CC1(C)CC(SCc2ccccc2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
EGFR P00533 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20855351 0.83 RAB9A (0.45) RAB9ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL20855345 0.83 USP2 (0.41) HTTL3MBTL1POLBHPGDKDM4E
SCHEMBL8995883 0.82 HTT (0.36) HSD17B10HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4396806 0.79 NPC1 (0.41) HTTRAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20870952 0.75 DAO (0.44) RAB9ASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL22911695 0.74 MAOB (0.34) L3MBTL1LMNA
SCHEMBL22911700 0.72
SCHEMBL20870953 0.71 DAO (0.33) L3MBTL1LMNA
SCHEMBL4386341 0.70 SLC6A2 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL14168752 0.70 ITGB1 (0.40) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929637-B Sulfur-containing dihydro isoxazole compound and synthetic method thereof 山东大学 2024-02-06 CN disclosed
CN-113929637-A Sulfur-containing dihydro isoxazole compound and synthetic method thereof 山东大学 2022-01-14 CN disclosed
EP-2186410-B1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-05-07 EP disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
WO-2010116121-A1 PROCESSES FOR MAKING ISOXAZOLINE DERIVATIVES SYNGENTA LIMITED (GB) 2010-10-14 WO disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
EP-1203768-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-03-01 EP disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
CN-1673221-A Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 CN disclosed
US-6841519-B1 Isoxazoline derivatives and herbicides containing the same as the active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-01-11 US disclosed
CN-1170825-C isoxazoline derivative and herbicide containing the same as active ingredient ��Ԩ��ѧ��ҵ��ʽ���� 2004-10-13 CN disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
CN-1491217-A Isoxazoline derivatives and herbicides containing them as active ingredient ��Ԩ��ѧ��ҵ��ʽ���� 2004-04-21 CN disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 EP disclosed
CN-1368965-A isoxazoline derivative and herbicide containing the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-09-11 CN disclosed
EP-1203768-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-08 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 (3 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 HSD17B10 608/4885HTT 938/4885RAB9A 2464/4885
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 HSD17B10 623/4885HTT 1683/4885RAB9A 3117/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 HSD17B10 847/4885HTT 2681/4885RAB9A 2523/4885

“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.