SCHEMBL4544497

SCHEMBL4544497

Cc1ccc2oc(-c3ccncc3C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
RAB9A P51151 11/20 0.58
ALDH1A1 P00352 10/20 0.58
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 9/20 0.58
HPGD P15428 8/20 0.58
MAPT P10636 5/20 0.58
HSD17B10 Q99714 8/20 0.56
TP53 P04637 5/20 0.56
CASP3 P42574 4/20 0.55
SENP7 Q9BQF6 4/20 0.55
SENP6 Q9GZR1 4/20 0.55
SENP8 Q96LD8 3/20 0.55
GAA P10253 1/20 0.55
POLB P06746 3/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 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
SCHEMBL4544515 0.86 KDM4E (0.60) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544439 0.86 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544387 0.86 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544482 0.86 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544500 0.86 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544428 0.86 KDM4E (0.56) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544456 0.85 KDM4E (0.56) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544376 0.83 KDM4E (0.51) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544474 0.83 KDM4E (0.51) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4544536 0.83 KDM4E (0.51) KDM4ERAB9AALDH1A1NPC1SMN1; 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.