SCHEMBL13314396

SCHEMBL13314396

CCCCOc1ccc2nc(CN(Cc3ccc(OCc4ccccc4)cc3)CC(C)C)n(CCCC)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ACSS2 Q9NR19 1/20 0.43
BCHE P06276 3/20 0.42
TSHR P16473 3/20 0.41
MMP13 P45452 1/20 0.41
TP53 P04637 4/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1283494 0.96 DRD2 (0.45) MAPTACSS2BCHEL3MBTL1HRH3
SCHEMBL1283519 0.90 DRD2 (0.48) MAPTACSS2BCHEMMP13L3MBTL1
SCHEMBL1283234 0.90 DRD2 (0.48) MAPTACSS2BCHEMMP13L3MBTL1
SCHEMBL1283448 0.88 DRD2 (0.48) BCHE
SCHEMBL13314414 0.88 KCNH2 (0.48) MAPTACSS2BCHETSHRMMP13
SCHEMBL1283374 0.84 DRD2 (0.50) MAPTBCHETSHR
SCHEMBL1283642 0.83 DRD2 (0.43) MAPTACSS2BCHEL3MBTL1HRH3
SCHEMBL1282611 0.82 DRD2 (0.48) MAPTACSS2BCHETSHRSMN1; SMN2
SCHEMBL1282958 0.81 DRD2 (0.43) MAPTACSS2BCHEL3MBTL1HRH3
SCHEMBL1283051 0.81 MAOB (0.45) BCHEL3MBTL1

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-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 430/4885ACSS2 2898/4885BCHE 1161/4885

“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.