SCHEMBL964047

SCHEMBL964047

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=CC(=O)NS(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
NR2F2 P24468 1/20 0.34
LMNA P02545 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FPR2 P25090 4/20 0.34
PROKR1 Q8TCW9 4/20 0.34
TP53 P04637 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL964044 1.00 ATM (0.36) ATMMAPTHTTSMN1; SMN2POLB
SCHEMBL963652 0.90 FPR2 (0.37) MAPTHTTSMN1; SMN2NR2F2LMNA
SCHEMBL963650 0.90 FPR2 (0.37) MAPTHTTSMN1; SMN2NR2F2LMNA
SCHEMBL965616 0.90 MAPT (0.36) MAPTHTTSMN1; SMN2POLBNR2F2
SCHEMBL965612 0.90 MAPT (0.36) MAPTHTTSMN1; SMN2POLBNR2F2
SCHEMBL961685 0.88 MAPT (0.38) MAPTHTTSMN1; SMN2NR2F2TP53
SCHEMBL961684 0.88 MAPT (0.38) MAPTHTTSMN1; SMN2NR2F2TP53
SCHEMBL965070 0.87 HTT (0.36) MAPTHTTSMN1; SMN2NR2F2LMNA
SCHEMBL965067 0.87 HTT (0.36) MAPTHTTSMN1; SMN2NR2F2LMNA
SCHEMBL966293 0.86 HTT (0.36) ATMMAPTHTTSMN1; SMN2POLB

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 ATM 4513/4885MAPT 4343/4885HTT 3376/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ATM 4398/4885MAPT 4720/4885HTT 3799/4885

“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.