SCHEMBL444879

SCHEMBL444879

O=C(O)CC1(Cc2ccc(Br)cc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
MME P08473 2/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TBXA2R P21731 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL447830 0.86 MAPK1 (0.46) MAPK1ALDH1A1LMNAMMEMAPT
SCHEMBL7166167 0.81 GAA (0.49) MAPK1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL9465836 0.79 ALDH1A1 (0.52) MAPK1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL25832177 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL28841070 0.72 MME (0.44) MAPK1ALDH1A1SMN1; SMN2LMNAMME
SCHEMBL9140305 0.72 MEP1B (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL447379 0.72 MME (0.45) MAPK1SMN1; SMN2MMEHPGDNPC1
SCHEMBL6523 0.72 MME (0.40) MAPK1ALDH1A1SMN1; SMN2MMEMAPT
Gabapentin SCHEMBL3166322 0.71 ALDH1A1 (0.54) MAPK1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL28840772 0.71 MME (0.46) MAPK1ALDH1A1SMN1; SMN2LMNAMME

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO 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 MAPK1 1699/4885ALDH1A1 878/4885SMN1; SMN2 158/4885

“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.