SCHEMBL4049684

SCHEMBL4049684

Cc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.57
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NOTUM Q6P988 2/20 0.49
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTPN5 P54829 1/20 0.38
PGR P06401 1/20 0.38
KIF11 P52732 5/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 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
SCHEMBL169128 0.84 MAPT (0.53) ARHTTMEN1NPC1MAPT
SCHEMBL30503592 0.84 MAPT (0.53) ARHTTMEN1NPC1MAPT
SCHEMBL1042573 0.82 NOTUM (0.50) ARMEN1MAPTKMT2ANOTUM
SCHEMBL28242953 0.81 KIF11 (0.59) ARMEN1MAPTKMT2ANPSR1
SCHEMBL17297890 0.80 AR (0.61) ARNOTUMPDE3BPDE3ACYP11B1
SCHEMBL4051545 0.79 NOTUM (0.44) ARHTTMEN1NPC1MAPT
SCHEMBL13906328 0.78 AR (0.59) ARPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4054186 0.78 NOTUM (0.46) ARMEN1MAPTKMT2ANOTUM
SCHEMBL12508243 0.77 AR (0.57) ARNOTUMPDE3BPDE3A
SCHEMBL14499510 0.76 PIM1 (0.43) ARHTTMAPTNOTUMLMNA

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 AR 4786/4885HTT 3250/4885MEN1 3857/4885

“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.