SCHEMBL939159

SCHEMBL939159

Cn1nc(C(F)(F)F)c(CO)c1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL12567090 0.82 MPO (0.42) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL13488613 0.81 KDM4E (0.36) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL22716459 0.81 KMT2A (0.35) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL18050215 0.81 MPO (0.41) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL938913 0.81 MPO (0.41) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL940397 0.79 ALDH1A1 (0.41) CYP1A2CYP2C19CYP2C9CYP3A4KMT2A
SCHEMBL940309 0.78 KDM4E (0.31) KDM4E
SCHEMBL537606 0.77 SMN1; SMN2 (0.37) CYP1A2CYP2C19CYP2C9CYP3A4KMT2A
SCHEMBL26513360 0.74 MPO (0.48) MPOCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL4173041 0.74 SMN1; SMN2 (0.36) CYP1A2CYP2C19CYP2C9CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US 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
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP 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-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US 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-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP 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 (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 MPO 2230/4885CYP1A2 35/4885CYP2C19 823/4885
US-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 MPO 1376/4885CYP1A2 365/4885CYP2C19 1057/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 MPO 983/4885CYP1A2 20/4885CYP2C19 218/4885

“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.