SCHEMBL4051545

SCHEMBL4051545

Cc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
PTGS2 P35354 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AR P10275 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
SCHEMBL19243109 0.83 CYP11B1 (0.50) CCR1CCR5CCR8HDAC6CYP11B1
SCHEMBL4053188 0.79 NOTUM (0.43) NOTUMCYP11B1CYP11B2NPC1RAB9A
SCHEMBL4049684 0.79 AR (0.57) NOTUMCYP11B1CYP11B2HTTMEN1
SCHEMBL24414535 0.76 CYP11B1 (0.46) NOTUMCCR1CCR5CCR8HDAC6
SCHEMBL169128 0.74 MAPT (0.53) NOTUMHTTMEN1NPC1MAPT
SCHEMBL30503592 0.74 MAPT (0.53) NOTUMHTTMEN1NPC1MAPT
SCHEMBL8192377 0.74 CCR1 (0.54) CCR1CCR5CCR8HDAC6CYP11B1
SCHEMBL13327622 0.73 KIF11 (0.45) NPSR1
SCHEMBL13692257 0.72 KDM1A (0.54) CCR1CCR5CCR8HDAC6CYP11B1
SCHEMBL10093051 0.72 DHODH (0.57) CCR1CCR5CCR8HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 NOTUM 1670/4885CCR1 503/4885CCR5 497/4885

“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.