SCHEMBL963534

SCHEMBL963534

CCC(=Cc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21)C(=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PHGDH O43175 6/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
OXER1 Q8TDS5 1/20 0.34
MAPK10 P53779 1/20 0.34
KMO O15229 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CCR2 P41597 1/20 0.32
SLC6A2 P23975 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL966083 0.94 MAPT (0.36) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL966082 0.94 MAPT (0.36) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL962735 0.84 ROCK1 (0.34) MAPTSMN1; SMN2KMOMEN1KMT2A
SCHEMBL962734 0.84 ROCK1 (0.34) MAPTSMN1; SMN2KMOMEN1KMT2A
SCHEMBL966086 0.82 SMN1; SMN2 (0.36) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL966087 0.82 SMN1; SMN2 (0.36) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL963809 0.81 MAPK8 (0.36) PHGDHMAPK8MAPK9OXER1MAPK10
SCHEMBL962582 0.80 SMN1; SMN2 (0.44) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL962581 0.80 SMN1; SMN2 (0.44) MAPTNR2F2HTTSMN1; SMN2PHGDH
SCHEMBL965362 0.80 FFAR4 (0.38) MAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885NR2F2 201/4885HTT 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.