SCHEMBL14764434

SCHEMBL14764434

Brc1cc(-c2nc3ncccc3o2)c2occc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 8/20 0.47
TP53 P04637 3/20 0.44
ALOX12 P18054 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3926485 0.75 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2386008 0.74 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL11728549 0.72 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL11645613 0.72 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL14764355 0.72 KDM4E (0.46) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4143617 0.70 NPC1 (0.71) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL11646125 0.69 SMN1; SMN2 (0.71) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL13522986 0.69 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL9867464 0.69 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL11644036 0.68 NPC1 (0.59) NPC1RAB9AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO 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 (1 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-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES EIF5B, EIF2AK2, HCCS NPC1 465/4885RAB9A 3414/4885KDM4E 2423/4885

“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.