SCHEMBL13624261

SCHEMBL13624261

CC[C@H](N)CNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.54
AR P10275 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
NOX1 Q9Y5S8 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MRGPRX1 Q96LB2 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL7387095 0.87 LTA4H (0.62) LTA4HGAAMAPTMEN1TP53
SCHEMBL8565150 0.80 AR (0.52) LTA4HARGAAMAPTMEN1
SCHEMBL6376293 0.80 AR (0.62) ARGAAMAPTMEN1TP53
SCHEMBL1728640 0.79 NPC1 (0.55) LTA4HARGAAMAPTMEN1
SCHEMBL10847698 0.79 FNTA (0.53) MAPTSMN1; SMN2ALDH1A1
SCHEMBL11216638 0.79 LTA4H (0.72) LTA4HGAAMAPTRAB9ASMN1; SMN2
SCHEMBL13696737 0.79 LTA4H (0.72) LTA4HGAAMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28494253 0.79 AR (0.60) ARGAAMAPTMEN1TP53
SCHEMBL10874652 0.78 HDAC3 (0.58) LTA4HMAPTMEN1KMT2ARAB9A
SCHEMBL17890843 0.77 AR (0.59) ARGAAMAPTMEN1TP53

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF LTA4H 1070/4885AR 2702/4885GAA 2184/4885

“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.