SCHEMBL4544597

SCHEMBL4544597

Cc1cnc2oc(-c3ccncc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.45
RAB9A P51151 11/20 0.45
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TP53 P04637 6/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
STAT1 P42224 1/20 0.45
PIK3CB P42338 2/20 0.44
PIK3CA P42336 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL11645943 0.86 RAB9A (0.58) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL24465526 0.84 RAB9A (0.60) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544510 0.81 S1PR1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL1026032 0.79 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544542 0.79 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544499 0.79 F7 (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544539 0.79 KDM4E (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544470 0.76 SGMS2 (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544486 0.76 NPC1 (0.35) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4544479 0.76 SGMS2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 2313/4885RAB9A 373/4885KDM4E 4018/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R NPC1 2313/4885RAB9A 373/4885KDM4E 4018/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC NPC1 3065/4885RAB9A 628/4885KDM4E 1309/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC NPC1 2318/4885RAB9A 1619/4885KDM4E 2280/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S NPC1 1938/4885RAB9A 182/4885KDM4E 4487/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 NPC1 1904/4885RAB9A 310/4885KDM4E 4546/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC NPC1 2547/4885RAB9A 2234/4885KDM4E 1592/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 NPC1 3704/4885RAB9A 1986/4885KDM4E 977/4885

“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.