SCHEMBL4544509

SCHEMBL4544509

COc1ccc2oc(-c3ccncc3Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 8/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
KDR P35968 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL1024114 0.84 HSD17B10 (0.46) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL4544387 0.83 KDM4E (0.54) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL4544502 0.82 MAPT (0.47) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL4036194 0.82 MAPT (0.57) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL4544436 0.80 ESR1 (0.46) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL1027432 0.80 NPC1 (0.46) HSD17B10MAPTNPC1RAB9AALDH1A1
SCHEMBL1024034 0.78 HSD17B10 (0.78) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL4544487 0.77 RAB9A (0.44) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL11964150 0.77 RAB9A (0.44) HSD17B10TSHRMAPTNPC1RAB9A
SCHEMBL1026561 0.77 AGPAT2 (0.52) MAPTNPC1RAB9AALDH1A1KDM4E

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
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
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
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-8242133-B2 Arthropod pest control compositions comprising substituted oxazolo [5,4-b ] pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US 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 (8 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R HSD17B10 1028/4885TSHR 895/4885MAPT 4616/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R HSD17B10 1028/4885TSHR 895/4885MAPT 4616/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC HSD17B10 774/4885TSHR 4367/4885MAPT 2543/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC HSD17B10 841/4885TSHR 3308/4885MAPT 3078/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S HSD17B10 1290/4885TSHR 1116/4885MAPT 4448/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 HSD17B10 1384/4885TSHR 1743/4885MAPT 4631/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC HSD17B10 383/4885TSHR 3804/4885MAPT 2518/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 HSD17B10 921/4885TSHR 3639/4885MAPT 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.