SCHEMBL9917432

SCHEMBL9917432

O=[N+]([O-])c1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RECQL P46063 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL9917428 0.87 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6085876 0.80 IDO1 (0.50) MAPK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6086636 0.80 IDO1 (0.53) MAPK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14934084 0.77 NPC1 (0.46) TSHRMAPK1HDAC3HDAC1HDAC2
SCHEMBL9917437 0.76 BRD4 (0.42) TSHRMAPK1NPC1RECQLALDH1A1
SCHEMBL15845549 0.76 NPC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15712208 0.75 NPC1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15712769 0.75 NPC1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6087704 0.74 MAPT (0.51) NPC1RECQLALDH1A1MAPTALOX12
SCHEMBL6087453 0.74 RECQL (0.49) MAPK1NPC1HSP90AA1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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 (2 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 TSHR 4766/4885MAPK1 4363/4885HDAC3 285/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 TSHR 4766/4885MAPK1 4363/4885HDAC3 285/4885

“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.