SCHEMBL4053188

SCHEMBL4053188

FC(F)(F)c1cc(-c2ccc(CBr)cn2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.43
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 5/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.35
PPARA Q07869 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL4054186 0.80 NOTUM (0.46) NOTUMPDE3BPDE3ARXRARXRB
SCHEMBL4051545 0.79 NOTUM (0.44) NOTUMCYP11B1CYP11B2PDE3BPDE3A
SCHEMBL30626572 0.76 NOTUM (0.40) NOTUMPDE3BPDE3ANPC1RAB9A
SCHEMBL1639279 0.76 NOTUM (0.40) NOTUMPDE3BPDE3ANPC1RAB9A
SCHEMBL4054256 0.75 CYP3A4 (0.41) CYP11B1CYP11B2PDE3BPDE3ARXRA
SCHEMBL9805438 0.73 RAB9A (0.63) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL4052522 0.72 S1PR1 (0.44) CYP11B1CYP11B2PDE3BPDE3AHSD17B10
SCHEMBL19243111 0.71 NPC1 (0.52) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL30767576 0.71 KIF11 (0.51) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL3390675 0.71 KIF11 (0.51) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2

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 1670/4885CYP11B1 754/4885CYP11B2 771/4885

“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.