SCHEMBL4544454

SCHEMBL4544454

CCc1cnccc1-c1nc2cc(C)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
RAB9A P51151 9/20 0.51
HPGD P15428 9/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 8/20 0.51
NPC1 O15118 7/20 0.51
TP53 P04637 5/20 0.51
POLB P06746 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 5/20 0.49
SENP7 Q9BQF6 5/20 0.49
SENP6 Q9GZR1 5/20 0.49
SENP8 Q96LD8 4/20 0.49
AGPAT2 O15120 7/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL4544592 0.86 ALDH1A1 (0.48) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544502 0.84 MAPT (0.47) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL1025231 0.84 F2RL3 (0.47) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544497 0.83 KDM4E (0.58) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544493 0.83 KDM4E (0.47) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL1025865 0.83 AGPAT2 (0.47) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL4544482 0.81 KDM4E (0.54) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544515 0.81 KDM4E (0.60) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544428 0.81 KDM4E (0.56) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4544500 0.81 KDM4E (0.54) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
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 KDM4E 4018/4885RAB9A 373/4885HPGD 2199/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R KDM4E 4018/4885RAB9A 373/4885HPGD 2199/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1309/4885RAB9A 628/4885HPGD 1674/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC KDM4E 2280/4885RAB9A 1619/4885HPGD 678/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S KDM4E 4487/4885RAB9A 182/4885HPGD 2690/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 KDM4E 4546/4885RAB9A 310/4885HPGD 1172/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC KDM4E 1592/4885RAB9A 2234/4885HPGD 1253/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 KDM4E 977/4885RAB9A 1986/4885HPGD 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.