SCHEMBL430307

SCHEMBL430307

Cc1cc2c(cn1)CCC/C2=N\O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
BRAF P15056 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL428275 0.80 HPGD (0.42) TSHRHPGDL3MBTL1POLBALOX15
SCHEMBL428276 0.80 HPGD (0.42) TSHRHPGDL3MBTL1POLBALOX15
SCHEMBL30939115 0.80 HPGD (0.42) TSHRHPGDL3MBTL1POLBALOX15
SCHEMBL7232354 0.80 TSHR (0.41) TSHRHPGDL3MBTL1POLBALOX15
SCHEMBL7232357 0.80 TSHR (0.41) TSHRHPGDL3MBTL1POLBALOX15
SCHEMBL430974 0.74 MEN1 (0.44) TSHRMAPTNPC1TP53NFKB1
SCHEMBL5466822 0.72 L3MBTL1 (0.53) TSHRHPGDL3MBTL1MAPTGAA
SCHEMBL5272128 0.72 L3MBTL1 (0.53) TSHRHPGDL3MBTL1MAPTGAA
SCHEMBL30995675 0.72 L3MBTL1 (0.53) TSHRHPGDL3MBTL1MAPTGAA
SCHEMBL11961582 0.72 NOS3 (0.50) L3MBTL1MAPTNPC1TP53NFKB1

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 TSHR 4602/4885HPGD 303/4885L3MBTL1 4213/4885

“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.