SCHEMBL1554917

SCHEMBL1554917

O=C(Cl)c1ccncc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.43
GSK3B P49841 6/20 0.43
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATR Q13535 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SSTR4 P31391 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP17A1 P05093 3/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1555479 0.86 L3MBTL1 (0.48) GSK3AGSK3BMAPTL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1554919 0.85 L3MBTL1 (0.47) GSK3AGSK3BMAPTL3MBTL1KDM4E
SCHEMBL12689606 0.82 GSK3B (0.41) GSK3AGSK3BMAPTL3MBTL1ATR
SCHEMBL6789664 0.78 KDM4E (0.47) MAPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4639943 0.76 GSK3B (0.47) GSK3AGSK3BMAPTL3MBTL1ATR
SCHEMBL1025669 0.74 NPC1 (0.46) MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL20107610 0.73 KDM4E (0.49) MAPTL3MBTL1KDM4EALDH1A1CYP1A2
SCHEMBL17610600 0.72 CYP17A1 (0.40) GSK3AGSK3BMAPTL3MBTL1KDM4E
SCHEMBL28160859 0.72 CYP17A1 (0.51) GSK3AGSK3BMAPTL3MBTL1KDM4E
SCHEMBL1555009 0.72 GSK3B (0.48) GSK3AGSK3BMAPTATRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
EP-2490538-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
EP-2490540-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
EP-2490539-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
EP-2482660-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049220-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 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 (4 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-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC GSK3A 4758/4885GSK3B 4769/4885MAPT 2543/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC GSK3A 4746/4885GSK3B 4770/4885MAPT 3078/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC GSK3A 4675/4885GSK3B 4676/4885MAPT 2518/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 GSK3A 4802/4885GSK3B 4799/4885MAPT 2608/4885

“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.