SCHEMBL964005

SCHEMBL964005

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1cc(Cl)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
BLM P54132 1/20 0.36
ELANE P08246 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL965889 0.86 L3MBTL1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL965890 0.86 L3MBTL1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL962822 0.85 ELANE (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL964447 0.81 NPC1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL963203 0.81 PHGDH (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL963900 0.79 PPARG (0.43)
SCHEMBL963901 0.79 PPARG (0.43)
SCHEMBL964008 0.79 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL964006 0.79 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL964903 0.79 HDAC3 (0.35) RAB9ANPC1ALDH1A1SMN1; 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 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 RAB9A 2322/4885NPC1 1538/4885ALDH1A1 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.