SCHEMBL3380953

SCHEMBL3380953

CCOC(=O)c1c(C(F)(F)F)noc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL6614100 0.78 KMT2A (0.37) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2775305 0.78 ALDH1A1 (0.58) KDM4EPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL24334811 0.77 KDM4E (0.46) IDO1KDM4EPOLBKMT2AMAPT
SCHEMBL26101135 0.76 CACNA1F (0.49) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL6610361 0.76 KMT2A (0.46) IDO1KDM4EPOLBKMT2AALDH1A1
SCHEMBL285703 0.76 MLYCD (0.40) POLBKMT2AMLYCDALDH1A1SMN1; SMN2
SCHEMBL21590738 0.75 POLB (0.42) KDM4EPOLBKMT2AMAPTMLYCD
SCHEMBL2780502 0.75 GPBAR1 (0.58) KDM4EPOLBKMT2AMAPTMLYCD
SCHEMBL9726366 0.75 KDM4E (0.50) IDO1KDM4EPOLBKMT2AMAPT
SCHEMBL860192 0.75 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2NPSR1NPC1RAB9A

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 14 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
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
EP-1261605-B1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2004-11-10 EP 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
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
US-6403791-B1 TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS DARWIN DISCOVERY, LTD. (GB) 2002-06-11 US disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 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 (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 IDO1 176/4885KDM4E 1984/4885POLB 3578/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 IDO1 28/4885KDM4E 1263/4885POLB 3136/4885

“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.