SCHEMBL4544467

SCHEMBL4544467

COc1cnccc1-c1nc2cc(C)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
HPGD P15428 10/20 0.54
ALDH1A1 P00352 10/20 0.54
HSD17B10 Q99714 8/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
TP53 P04637 4/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
AGPAT2 O15120 3/20 0.54
KDM4E B2RXH2 11/20 0.51
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AAK1 Q2M2I8 1/20 0.49
CASP3 P42574 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
SENP6 Q9GZR1 3/20 0.49

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
SCHEMBL4544464 0.86 HPGD (0.54) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4544517 0.86 KDM4E (0.48) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4544562 0.86 ALOX5 (0.46) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4544450 0.85 KDM4E (0.47) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4544570 0.85 ALOX5 (0.46) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4544383 0.84 KDM4E (0.53) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11964143 0.84 AGPAT2 (0.47) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1025661 0.84 F2RL3 (0.47) ALOX5ALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL4544497 0.83 KDM4E (0.58) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11964144 0.83 HPGD (0.46) ALOX5HPGDALDH1A1HSD17B10SMN1; SMN2

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-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS 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 ALOX5 1924/4885HPGD 2199/4885ALDH1A1 1245/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R ALOX5 1924/4885HPGD 2199/4885ALDH1A1 1245/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC ALOX5 1515/4885HPGD 1674/4885ALDH1A1 2877/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC ALOX5 633/4885HPGD 678/4885ALDH1A1 3800/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S ALOX5 1835/4885HPGD 2690/4885ALDH1A1 883/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 ALOX5 2530/4885HPGD 1172/4885ALDH1A1 620/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC ALOX5 850/4885HPGD 1253/4885ALDH1A1 3770/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 ALOX5 608/4885HPGD 760/4885ALDH1A1 1829/4885

“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.