SCHEMBL738924

SCHEMBL738924

O=C(NCC(F)(F)F)c1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
ORAI1 Q96D31 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL738168 0.91 ULK1 (0.39) MLYCDCD274HDAC1HDAC6JAK2
SCHEMBL740688 0.88 MAPK14 (0.49) MLYCDHDAC6MAPK14MAPK1ROCK2
SCHEMBL740370 0.86 ROCK2 (0.45) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL12846254 0.85 HDAC4 (0.39) MLYCDCD274HDAC3HDAC1HDAC2
SCHEMBL738934 0.85 PYGL (0.41) HDAC3HDAC1HDAC2ALDH1A1JAK2
SCHEMBL20508225 0.84 GPR52 (0.40) HDAC3HDAC1HDAC2HDAC6F2
SCHEMBL737905 0.83 ULK1 (0.39) ALDH1A1JAK2JAK1JAK3ULK1
SCHEMBL738000 0.82 ULK1 (0.36) HDAC3HDAC1HDAC2HDAC6JAK2
SCHEMBL737296 0.82 GABRA5 (0.39) ORAI1HDAC3HDAC1HDAC2HDAC6
SCHEMBL12846448 0.81 ABL1 (0.34) CD274HDAC6ABL1BCRHTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 US disclosed
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-05-21 US disclosed
US-10596157-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-03-24 US disclosed
US-20180318266-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-11-08 US disclosed
US-20170065565-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-03-09 US disclosed
EP-1731512-B9 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2017-03-01 EP disclosed
US-20150105398-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2015-04-16 US disclosed
US-8946492-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-03 US disclosed
EP-1731512-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2014-10-01 EP disclosed
US-20130296559-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2013-11-07 US disclosed
US-8492311-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-23 US disclosed
US-20120172615-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-8138213-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20110251398-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-13 US disclosed
US-8022089-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-20 US disclosed
US-7662972-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-16 US disclosed
US-20090312330-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-17 US disclosed
US-20070066617-A1 Insecticidal and acaricidal activity for many agricultural insect pests, spider mites; endo- or ecto-parasiticide for mammals or birds; veterinary medicine; environmentally friendly NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-22 US disclosed
EP-1731512-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-12-13 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 (12 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-20150105398-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 MLYCD 3019/4885ORAI1 2343/4885CD274 4819/4885
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT MLYCD 1097/4885ORAI1 999/4885CD274 4487/4885
US-10596157-B2 Isoxazoline-substituted benzamide compound and pesticide CHRM3, C3AR1, C9 MLYCD 2857/4885ORAI1 2155/4885CD274 4760/4885
US-20120172615-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 MLYCD 3275/4885ORAI1 1694/4885CD274 4725/4885
US-20180318266-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE CHRM3, C3AR1, C9 MLYCD 2857/4885ORAI1 2155/4885CD274 4760/4885
US-20090312330-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE ATM, CHRM1, NAT1 MLYCD 2883/4885ORAI1 3778/4885CD274 2294/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 MLYCD 2943/4885ORAI1 2118/4885CD274 4789/4885
US-20130296559-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C5, C3AR1, C9 MLYCD 2878/4885ORAI1 2107/4885CD274 4793/4885
US-20110251398-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE CBR3, CHRM1, CBR1 MLYCD 4507/4885ORAI1 2601/4885CD274 4302/4885
US-20170065565-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 MLYCD 3106/4885ORAI1 2095/4885CD274 4804/4885
US-20070066617-A1 Insecticidal and acaricidal activity for many agricultural insect pests, spider mites; endo- or ecto-parasiticide for mammals or birds; veterinary medicine; environmentally friendly CHRM1, DDT, ATM MLYCD 3548/4885ORAI1 3387/4885CD274 493/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 MLYCD 2943/4885ORAI1 2118/4885CD274 4789/4885

“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.