SCHEMBL16772292

SCHEMBL16772292

Cc1ccc(Cn2cc3cc(Br)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
DUSP3 P51452 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
IDO1 P14902 1/20 0.42
NPC1 O15118 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ERBB2 P04626 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
HDAC1 Q13547 1/20 0.36

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
SCHEMBL20680673 0.88 HDAC6 (0.42) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6
SCHEMBL9917430 0.87 HDAC6 (0.57) HDAC6KMT2AMEN1ERBB2HDAC8
SCHEMBL1128943 0.85 HDAC8 (0.50) SMN1; SMN2HDAC6IDO1KMT2AMEN1
SCHEMBL662061 0.85 IDO1 (0.45) SMN1; SMN2RAB9AHDAC6IDO1NPC1
SCHEMBL9917423 0.81 RAB9A (0.41) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6
SCHEMBL9917429 0.81 RAB9A (0.41) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6
SCHEMBL9917422 0.81 HDAC6 (0.54) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6
SCHEMBL16418008 0.80 RAB9A (0.44) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6
SCHEMBL13042 0.79 NPC1 (0.50) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL6840368 0.78 KDM4E (0.47) SMN1; SMN2RAB9ADUSP3L3MBTL1HDAC6

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 1 patent. 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

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-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 SMN1; SMN2 2247/4885RAB9A 2617/4885DUSP3 358/4885

“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.