SCHEMBL3043837

SCHEMBL3043837

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.58
ENPP1 P22413 1/20 0.58
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
NOTUM Q6P988 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4B Q07343 2/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.44

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 0.85 ENPP3 (0.62) ENPP3ENPP1HSD17B1HSD17B2NOTUM
SCHEMBL1608482 0.85 ENPP3 (0.69) ENPP3ENPP1SMN1; SMN2NPC1RAB9A
SCHEMBL3034992 0.84 ENPP3 (0.60) ENPP3ENPP1HSD17B1HSD17B2NOTUM
SCHEMBL1177949 0.82 ENPP3 (0.74) ENPP3ENPP1HSD17B1HSD17B2NOTUM
SCHEMBL1250845 0.79 KDM4E (0.73) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14266224 0.77 ABL1 (0.55) HSD17B2ALDH1A1TDP1MAPTLMNA
SCHEMBL12171824 0.76 VDR (0.55) ENPP3ENPP1NOTUMSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL10429250 0.76 ENPP3 (0.44) ENPP3ENPP1HSD17B1HSD17B2NPC1
SCHEMBL4193013 0.75 NPC1 (0.65) ENPP3ENPP1NOTUMSMN1; SMN2NPC1
SCHEMBL3506902 0.75 PDE4B (0.57) ENPP3ENPP1NOTUMSMN1; SMN2NPC1

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 18 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-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-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-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
EP-2023919-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES Molecular Neuroimaging, LLC (US) 2009-02-18 EP disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO 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 1151/4885HSD17B1 289/4885
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885HSD17B1 289/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885HSD17B1 289/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 ENPP3 915/4885ENPP1 1151/4885HSD17B1 289/4885

“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.