SCHEMBL964073

SCHEMBL964073

Cc1ccc2c(ccn2-c2c(C=CC(=O)NS(=O)(=O)NCC3CC3)c(C)nn2C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 4/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL964071 1.00 NPY5R (0.33) NPY5RKMT2AALDH1A1MEN1CYP2C9
SCHEMBL965345 0.92 NPY5R (0.41) NPY5RKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL962509 0.92 NPY5R (0.41) NPY5RLMNAHDAC3HDAC4HDAC1
SCHEMBL965347 0.92 NPY5R (0.41) NPY5RKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL962508 0.92 NPY5R (0.41) NPY5RLMNAHDAC3HDAC4HDAC1
SCHEMBL967081 0.90 NPY5R (0.39) NPY5RALDH1A1TP53LMNARXFP1
SCHEMBL967080 0.90 NPY5R (0.39) NPY5RALDH1A1TP53LMNARXFP1
SCHEMBL967721 0.90 NPY5R (0.43) NPY5R
SCHEMBL967718 0.90 NPY5R (0.43) NPY5R
SCHEMBL962876 0.88 NPY5R (0.38) NPY5RKMT2AALDH1A1LMNAMAPT

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 NPY5R 1067/4885KMT2A 1809/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885KMT2A 2017/4885ALDH1A1 821/4885

“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.