SCHEMBL1104010

SCHEMBL1104010

COc1ccc2c(CC(N)=O)coc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
USP2 O75604 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL1104011 0.89 MAPT (0.62) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL204937 0.87 MAPT (0.67) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL8019040 0.86 MTNR1A (0.55) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL2431256 0.86 ALDH1A1 (0.67) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL8695223 0.85 MTNR1A (0.56) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL25029852 0.83 MAPT (0.60) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL21807610 0.83 MAPT (0.60) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL23117308 0.82 L3MBTL1 (0.67) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL23188008 0.82 CYP11B1 (0.57) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL11948699 0.81 MAPT (0.58) MAPTTDP1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 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 (3 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-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 MAPT 3590/4885TDP1 4610/4885ALDH1A1 2341/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 MAPT 3590/4885TDP1 4610/4885ALDH1A1 2341/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 MAPT 3590/4885TDP1 4610/4885ALDH1A1 2341/4885

“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.