SCHEMBL2116708

SCHEMBL2116708

CCSc1cccc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 10/20 0.51
AHR P35869 1/20 0.46
PIK3CD O00329 1/20 0.39
HTR1B P28222 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR6 P50406 1/20 0.37
HTR1A P08908 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5102051 0.79 RHEB (0.56) RHEBAHRPIK3CDHTR1BMAPK1
SCHEMBL28872529 0.78 RHEB (0.76) RHEBAHRPIK3CDMAPK1ADRB1
SCHEMBL10613968 0.77 RHEB (0.47) RHEBAHRPIK3CDHTR1BMAPK1
SCHEMBL5096488 0.77 RHEB (0.51) RHEBAHRMEN1NPC1RAB9A
SCHEMBL7244448 0.76 STAT3 (0.48) RHEBKMT2ASTAT3HSD17B10
SCHEMBL30897295 0.76 STAT3 (0.58) AHRMEN1NPC1RAB9AKMT2A
SCHEMBL11382070 0.76 STAT3 (0.58) AHRMEN1NPC1RAB9AKMT2A
SCHEMBL18708593 0.75 ELANE (0.36) ADORA3ADORA2AADORA1MAPK1MEN1
SCHEMBL8527486 0.75 RHEB (0.41) RHEBAHR
SCHEMBL18873619 0.75 RHEB (0.56) RHEBAHRPIK3CDMAPK1ADRB1

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
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B RHEB 603/4885AHR 1386/4885PIK3CD 983/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B RHEB 603/4885AHR 1386/4885PIK3CD 983/4885

“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.