SCHEMBL9917422

SCHEMBL9917422

Cc1ccc2nn(Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
KCNH2 Q12809 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 3/20 0.43
DUSP3 P51452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.40
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
NPC1 O15118 1/20 0.39
KLKB1 P03952 1/20 0.39
MAP4K1 Q92918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL13042 0.86 NPC1 (0.50) SMN1; SMN2TP53RAB9AKMT2AMEN1
SCHEMBL24690106 0.83 HSP90AA1 (0.44) HDAC6SMN1; SMN2RAB9ADUSP3L3MBTL1
SCHEMBL9917430 0.82 HDAC6 (0.57) HDAC6KMT2AMEN1MAPTPOLB
SCHEMBL9917440 0.81 HDAC6 (0.47) HDAC6KCNH2SMN1; SMN2RAB9AKMT2A
SCHEMBL16772292 0.81 SMN1; SMN2 (0.45) HDAC6SMN1; SMN2RAB9ADUSP3L3MBTL1
SCHEMBL9917442 0.78 HDAC6 (0.48) HDAC6KCNH2TP53RAB9AKMT2A
SCHEMBL9917441 0.78 HDAC6 (0.48) HDAC6KCNH2TP53RAB9AKMT2A
SCHEMBL375814 0.78 HDAC6 (0.51) HDAC6TP53L3MBTL1MAPT
SCHEMBL16418008 0.78 RAB9A (0.44) HDAC6KCNH2SMN1; SMN2RAB9ADUSP3
SCHEMBL9917424 0.78 RAB9A (0.42) HDAC6SMN1; SMN2RAB9ADUSP3L3MBTL1

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 HDAC6 362/4885KCNH2 4580/4885SMN1; SMN2 2247/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HDAC6 362/4885KCNH2 4580/4885SMN1; SMN2 2247/4885

“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.