SCHEMBL4544530

SCHEMBL4544530

CCCCCSc1cnccc1-c1nc2cc(C)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.43
ALDH1A1 P00352 12/20 0.43
HPGD P15428 11/20 0.43
SMN1; SMN2 Q16637 10/20 0.43
RAB9A P51151 10/20 0.43
HSD17B10 Q99714 10/20 0.43
NPC1 O15118 8/20 0.43
TP53 P04637 5/20 0.43
CASP3 P42574 5/20 0.41
SENP7 Q9BQF6 5/20 0.41
SENP6 Q9GZR1 5/20 0.41
SENP8 Q96LD8 4/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
AGPAT2 O15120 5/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4544415 0.93 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544397 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1023875 0.85 AGPAT2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544474 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544494 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544568 0.79 HPGD (0.45) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544535 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544389 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL4544419 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1025845 0.78 AGPAT2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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-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 KDM4E 4018/4885ALDH1A1 1245/4885HPGD 2199/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R KDM4E 4018/4885ALDH1A1 1245/4885HPGD 2199/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1309/4885ALDH1A1 2877/4885HPGD 1674/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC KDM4E 2280/4885ALDH1A1 3800/4885HPGD 678/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S KDM4E 4487/4885ALDH1A1 883/4885HPGD 2690/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 KDM4E 4546/4885ALDH1A1 620/4885HPGD 1172/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1592/4885ALDH1A1 3770/4885HPGD 1253/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 KDM4E 977/4885ALDH1A1 1829/4885HPGD 760/4885

“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.