SCHEMBL967502

SCHEMBL967502

CCOC(=O)CCc1c(C)nn(C)c1-n1ccc2cc(C(F)(F)F)cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FPR2 P25090 1/20 0.34

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
SCHEMBL963126 0.84 POLB (0.34) POLBMEN1KMT2ARAB9ALMNA
SCHEMBL5120321 0.83 POLB (0.35) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL962983 0.81 POLB (0.42) POLBGRIN1GRIN2BL3MBTL1MEN1
SCHEMBL963377 0.81 LMNA (0.43) POLBL3MBTL1TSHRMEN1KMT2A
SCHEMBL962680 0.80 ALDH1A1 (0.33) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27772780 0.80 POLB (0.36) POLBGRIN1GRIN2BMEN1KMT2A
SCHEMBL5119940 0.80 NR3C1 (0.34) POLBMAPTGAA
SCHEMBL961670 0.79 POLB (0.34) POLB
SCHEMBL963320 0.78 TRPM8 (0.33) POLBTSHRLMNAMAPT
SCHEMBL963454 0.77 POLB (0.33) POLB

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 POLB 3524/4885GRIN1 1654/4885GRIN2B 2551/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885GRIN1 983/4885GRIN2B 1364/4885

“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.