SCHEMBL963946

SCHEMBL963946

Cc1nn(C)c(-n2ccc3cc(F)ccc32)c1/C=C/C(=O)NS(=O)(=O)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 4/20 0.33
NLRP3 Q96P20 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
FKBP1A P62942 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL963948 1.00 GAA (0.36) GAALMNATP53HDAC3HDAC4
SCHEMBL961685 0.90 MAPT (0.38) GAATP53MAPTFKBP1AHPGD
SCHEMBL961684 0.90 MAPT (0.38) GAATP53MAPTFKBP1AHPGD
SCHEMBL5126172 0.87 HDAC1 (0.37) GAALMNAHDAC3HDAC4HDAC1
SCHEMBL5126177 0.87 HDAC1 (0.37) GAALMNAHDAC3HDAC4HDAC1
SCHEMBL965070 0.82 HTT (0.36) LMNAMAPTKMT2A
SCHEMBL965616 0.82 MAPT (0.36) LMNAMAPTNLRP3POLBKMT2A
SCHEMBL965612 0.82 MAPT (0.36) LMNAMAPTNLRP3POLBKMT2A
SCHEMBL965067 0.82 HTT (0.36) LMNAMAPTKMT2A
SCHEMBL964506 0.81 HDAC3 (0.33) LMNAHDAC3HDAC4HDAC1HDAC7

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 4 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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 GAA 76/4885LMNA 3775/4885TP53 2149/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG GAA 1120/4885LMNA 3461/4885TP53 1057/4885

“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.