SCHEMBL3722758

SCHEMBL3722758

Oc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.56
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
SMN1; SMN2 Q16637 8/20 0.48
L3MBTL1 Q9Y468 6/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.46
CYP11B1 P15538 1/20 0.46
NPC1 O15118 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL190291 0.84 NOTUM (0.72) NOTUMHSD17B1HSD17B2SMN1; SMN2L3MBTL1
SCHEMBL541967 0.84 NOTUM (0.72) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL1221536 0.84 NOTUM (0.53) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL1221253 0.82 NOTUM (0.51) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL1221788 0.82 MEN1 (0.58) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL2901444 0.82 NOTUM (0.70) NOTUMHSD17B1HSD17B2SMN1; SMN2L3MBTL1
SCHEMBL17233329 0.82 NOTUM (0.51) NOTUMHSD17B1HSD17B2SMN1; SMN2L3MBTL1
SCHEMBL101949 0.81 NOTUM (0.68) NOTUMSMN1; SMN2L3MBTL1RAB9AMEN1
SCHEMBL1221106 0.80 NOTUM (0.49) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL1221380 0.79 NOTUM (0.49) NOTUMSMN1; SMN2L3MBTL1HTTALDH1A1

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-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 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-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 NOTUM 1675/4885HSD17B1 1859/4885HSD17B2 2283/4885

“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.