SCHEMBL4544492

SCHEMBL4544492

Cc1ccc2oc(-c3cc[n+]([O-])cc3F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
RAB9A P51151 9/20 0.50
ALDH1A1 P00352 9/20 0.50
HPGD P15428 8/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
NPC1 O15118 7/20 0.50
HSD17B10 Q99714 7/20 0.50
TP53 P04637 5/20 0.50
CASP3 P42574 4/20 0.48
SENP7 Q9BQF6 4/20 0.48
SENP6 Q9GZR1 4/20 0.48
SENP8 Q96LD8 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
NFKB1 P19838 4/20 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
SCHEMBL4544488 0.87 KDM4E (0.54) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4544452 0.85 HPGD (0.50) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4544507 0.85 KDM4E (0.50) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4544443 0.85 KDM4E (0.50) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1023504 0.82 AGPAT2 (0.43) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL4544434 0.78 ALDH1A1 (0.71) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4544482 0.75 KDM4E (0.54) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1024762 0.74 AGPAT2 (0.44) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10248962 0.73 AGPAT2 (0.41) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14699734 0.73 KDM4E (0.68) KDM4ERAB9AALDH1A1HPGDSMN1; 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-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 KDM4E 4018/4885RAB9A 373/4885ALDH1A1 1245/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R KDM4E 4018/4885RAB9A 373/4885ALDH1A1 1245/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1309/4885RAB9A 628/4885ALDH1A1 2877/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC KDM4E 2280/4885RAB9A 1619/4885ALDH1A1 3800/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S KDM4E 4487/4885RAB9A 182/4885ALDH1A1 883/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 KDM4E 4546/4885RAB9A 310/4885ALDH1A1 620/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1592/4885RAB9A 2234/4885ALDH1A1 3770/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 KDM4E 977/4885RAB9A 1986/4885ALDH1A1 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.