SCHEMBL4286653

SCHEMBL4286653

COc1cccc2c1C=CC=C1SCC(NC3CCCCC3)=C12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
AGER Q15109 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4295558 0.78 KDM4E (0.33) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL4283739 0.77 MAOA (0.34) RAB9AHPGDNPC1SMN1; SMN2MEN1
SCHEMBL19915073 0.61 NPSR1 (0.61) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL20931339 0.59 KDM4E (0.54) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL2374953 0.57 HPGD (0.46) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL1646836 0.56 LMNA (0.55) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL7505395 0.56 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4109302 0.55 TSHR (0.66) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL27253422 0.55 HPGD (0.64) RAB9AHPGDNPC1SMN1; SMN2TSHR
SCHEMBL2374957 0.54 NPSR1 (0.42) RAB9AHPGDNPC1SMN1; SMN2TSHR

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
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R RAB9A 2380/4885HPGD 2405/4885NPC1 4330/4885

“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.