SCHEMBL966085

SCHEMBL966085

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 1/20 0.41
NR2F2 P24468 1/20 0.41
HTT P42858 1/20 0.41
XPO1 O14980 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
MCHR1 Q99705 1/20 0.33
PHGDH O43175 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 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
SCHEMBL27772576 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNR2F2HTTXPO1
SCHEMBL966081 0.87 CCNC (0.42) SMN1; SMN2MAPTNR2F2HTTXPO1
SCHEMBL962500 0.86 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL962501 0.86 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL5111979 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL962581 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL962582 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL963530 0.83 HTT (0.41) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL963533 0.83 HTT (0.41) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL5111983 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNR2F2HTTL3MBTL1

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 SMN1; SMN2 4710/4885MAPT 4720/4885NR2F2 201/4885

“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.