SCHEMBL3934374

SCHEMBL3934374

Clc1ccc2cc(C(Br)Br)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
BACE1 P56817 8/20 0.36
PLAU P00749 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 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
SCHEMBL14269818 0.85 NMT1 (0.38) NMT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3976029 0.81 NPC1 (0.42) NMT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL31091858 0.81 TRPV4 (0.37) NMT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL31201698 0.78 UGT2B7 (0.52) NMT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL21800896 0.75 SCN10A (0.42) NMT1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL789486 0.74 BACE1 (0.64) NMT1CYP2D6BACE1PLAUEGFR
SCHEMBL198060 0.73 BACE1 (0.50) BACE1PLAUPIK3CG
SCHEMBL29447040 0.73 BACE1 (0.50) BACE1PLAUPIK3CG
SCHEMBL1133953 0.69 NCK1 (0.64) NMT1BACE1NCK1CYP1A2
SCHEMBL517252 0.69 PLAU (0.69) CYP3A4SLC6A2SLC6A4SLC6A3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 NMT1 2575/4885CYP3A4 1081/4885CYP2D6 1327/4885

“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.