SCHEMBL3379848

SCHEMBL3379848

OCc1c(C(F)(F)F)nn(-c2ccccc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP11B2 P19099 1/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4A O75164 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
SCHEMBL3384424 0.84 PTGS1 (0.39) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL3383520 0.83 BRAF (0.43) PTGS1PTGS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14747800 0.82 PTGS2 (0.50) CACNA1GCACNA1HCACNA1IPTGS1PTGS2
SCHEMBL538098 0.77 CACNA1G (0.35) CACNA1GCACNA1HCACNA1IPTGS1PTGS2
SCHEMBL19087096 0.77 PTGS1 (0.42) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL29248058 0.74 POLB (0.50) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL29248072 0.74 KDM4E (0.34) PTGS1PTGS2ALDH1A1POLBMAPT
SCHEMBL14747606 0.74 PTGS2 (0.51) CACNA1GCACNA1HCACNA1IPTGS1PTGS2
SCHEMBL17295614 0.73 PTGS1 (0.34) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL9267572 0.72 PTGS2 (0.47) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
CN-100361982-C Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-01-16 CN disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
CN-1257895-C Isoxazoline derivatives and herbicides containing them as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-05-31 CN 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-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

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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 CACNA1G 2870/4885CACNA1H 3380/4885CACNA1I 2588/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 CACNA1G 2280/4885CACNA1H 2986/4885CACNA1I 1908/4885

“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.