SCHEMBL3034992

SCHEMBL3034992

COc1cccc(-c2nc(-c3ccc(N)cc3)co2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.60
ENPP1 P22413 2/20 0.60
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
IKBKB O14920 1/20 0.47
TP53 P04637 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDE4B Q07343 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL13291061 0.88 ENPP3 (0.62) ENPP3ENPP1KDM4EKMT2AHSD17B1
SCHEMBL1177949 0.85 ENPP3 (0.74) ENPP3ENPP1KDM4EHSD17B1HSD17B2
SCHEMBL3043837 0.84 ENPP3 (0.58) ENPP3ENPP1KDM4EKMT2AHSD17B1
SCHEMBL12171824 0.78 VDR (0.55) ENPP3ENPP1KMT2ANOTUMSMN1; SMN2
SCHEMBL4254338 0.78 ENPP3 (0.62) ENPP3ENPP1KDM4EKMT2AHSD17B1
SCHEMBL4193013 0.77 NPC1 (0.65) ENPP3ENPP1KDM4EKMT2ANOTUM
SCHEMBL4879401 0.77 KDM4E (0.73) KDM4EKMT2ANOTUMSMN1; SMN2NPC1
SCHEMBL11426983 0.77 ENPP3 (0.51) ENPP3ENPP1KDM4EKMT2AHSD17B1
SCHEMBL3506902 0.77 PDE4B (0.57) ENPP3ENPP1KDM4EKMT2ANOTUM
SCHEMBL28498941 0.77 ALDH1A1 (0.54) ENPP3ENPP1KDM4EKMT2AHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 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 (4 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-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885KDM4E 4389/4885
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885KDM4E 4389/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885KDM4E 4389/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885KDM4E 4389/4885

“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.