SCHEMBL963377

SCHEMBL963377

CCOC(=O)CCc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PTPN1 P18031 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CNR2 P34972 2/20 0.38
TNF P01375 2/20 0.38
MTNR1A P48039 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL963933 0.87 NPC1 (0.42) LMNAMEN1KMT2APOLBRAB9A
SCHEMBL967502 0.81 POLB (0.46) LMNAMEN1KMT2APOLBRAB9A
SCHEMBL962300 0.79 LMNA (0.38) LMNARAB9AL3MBTL1ALOX15ALDH1A1
SCHEMBL964053 0.78 PPARG (0.38) MEN1KMT2AMTNR1ASLC22A12
SCHEMBL5119217 0.78 ENPP3 (0.39) L3MBTL1ALDH1A1MTNR1ASLC22A12
SCHEMBL964453 0.78 L3MBTL1 (0.38) LMNARAB9AL3MBTL1ALDH1A1MTNR1A
SCHEMBL963043 0.78 BRAF (0.38) KMT2AHPGDALDH1A1MTNR1ATP53
SCHEMBL965783 0.77 KDM4E (0.43) LMNAMEN1KMT2APOLBRAB9A
SCHEMBL964989 0.77 MTNR1A (0.39) LMNAKMT2ARAB9AL3MBTL1TSHR
SCHEMBL966046 0.76 TSHR (0.33) L3MBTL1TSHRCNR2MTNR1ATP53

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 LMNA 3775/4885MEN1 1234/4885KMT2A 1809/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG LMNA 3461/4885MEN1 4766/4885KMT2A 2017/4885

“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.