SCHEMBL964990

SCHEMBL964990

CC/C(=C(/C)C(=O)O)c1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
SLC22A12 Q96S37 4/20 0.36
PARP1 P09874 1/20 0.35
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRAF P15056 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL964991 1.00 MTNR1A (0.42) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL963810 0.81 MTNR1A (0.41) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL963806 0.81 MTNR1A (0.41) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL962302 0.78 PARP1 (0.38) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL962301 0.78 PARP1 (0.38) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL967688 0.76 PARP1 (0.40) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL967690 0.76 PARP1 (0.40) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL963933 0.74 NPC1 (0.42) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL964989 0.73 MTNR1A (0.39) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL965188 0.72 ALDH1A1 (0.47) MTNR1ASLC22A12PARP1CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885SLC22A12 2369/4885PARP1 1594/4885

“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.