SCHEMBL4544400

SCHEMBL4544400

Cc1ccc2oc(-c3cc[n+]([O-])c(Cl)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.58
KDM4E B2RXH2 8/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
ALDH1A1 P00352 8/20 0.58
RAB9A P51151 8/20 0.58
HPGD P15428 7/20 0.58
NPC1 O15118 7/20 0.58
HSD17B10 Q99714 6/20 0.58
CASP3 P42574 3/20 0.56
SENP7 Q9BQF6 3/20 0.56
SENP6 Q9GZR1 3/20 0.56
SENP8 Q96LD8 2/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 5/20 0.53
NFKB2 Q00653 5/20 0.53
RELA Q04206 5/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 6/20 0.53
ALOX5 P09917 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51

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
SCHEMBL4544434 0.82 ALDH1A1 (0.71) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL1024542 0.81 PPARG (0.45) KDM4ESMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL14947173 0.76 ALDH1A1 (0.96) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL10218249 0.76 SMN1; SMN2 (0.82) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL27652504 0.75 KDM4E (0.70) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL14513131 0.75 KDM4E (0.69) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL15047797 0.75 ALDH1A1 (0.93) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL3288386 0.75 ALDH1A1 (1.00) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL29858577 0.74 RAB9A (0.79) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL3401206 0.74 RAB9A (0.79) TP53KDM4ESMN1; SMN2ALDH1A1RAB9A

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 9 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-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-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 (7 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-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R TP53 4508/4885KDM4E 4018/4885SMN1; SMN2 1749/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC TP53 4304/4885KDM4E 1309/4885SMN1; SMN2 1967/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC TP53 4670/4885KDM4E 2280/4885SMN1; SMN2 259/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S TP53 3879/4885KDM4E 4487/4885SMN1; SMN2 1853/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 TP53 3500/4885KDM4E 4546/4885SMN1; SMN2 1228/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC TP53 4239/4885KDM4E 1592/4885SMN1; SMN2 2889/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 TP53 3286/4885KDM4E 977/4885SMN1; SMN2 2750/4885

“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.