SCHEMBL9917441

SCHEMBL9917441

Cc1cc2cn(Cc3ccc(Cl)cc3)nc2cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
KCNH2 Q12809 3/20 0.39
POLB P06746 2/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
KLKB1 P03952 2/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
SOS1 Q07889 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9917442 0.94 HDAC6 (0.48) HDAC6KCNH2POLBGALR3NR2F2
SCHEMBL9917423 0.90 RAB9A (0.41) HDAC6RAB9ATP53KDM4EKMT2A
SCHEMBL9917429 0.84 RAB9A (0.41) HDAC6RAB9ATP53GAAKDM4E
SCHEMBL9917440 0.83 HDAC6 (0.47) HDAC6KCNH2POLBGALR3NR2F2
SCHEMBL9917430 0.78 HDAC6 (0.57) HDAC6POLBGAANOTUMKMT2A
SCHEMBL9917422 0.78 HDAC6 (0.54) HDAC6KCNH2POLBGALR3NR2F2
SCHEMBL16418008 0.78 RAB9A (0.44) HDAC6KCNH2RAB9AKMT2AMEN1
SCHEMBL9917444 0.76 HDAC6 (0.44) HDAC6KCNH2RAB9AGAAKMT2A
SCHEMBL9917424 0.74 RAB9A (0.42) HDAC6RAB9AKMT2AMEN1NPC1
SCHEMBL16772292 0.71 SMN1; SMN2 (0.45) HDAC6GALR3NR2F2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
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-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-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
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
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 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 (3 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 4580/4885POLB 582/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 HDAC6 362/4885KCNH2 4580/4885POLB 582/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HDAC6 362/4885KCNH2 4580/4885POLB 582/4885

“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.