SCHEMBL7095555

SCHEMBL7095555

O[C@H](CNCc1ccccc1)[C@H](O)CNCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ANPEP P15144 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
LMNA P02545 1/20 0.53
DNM1 Q05193 1/20 0.53
BACE1 P56817 2/20 0.53
SLC6A11 P48066 1/20 0.53
THRB P10828 1/20 0.50
IDO1 P14902 1/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL7089480 1.00 BCHE (0.60) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL31335199 0.88 ALDH1A1 (0.57) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL11100850 0.88 BCHE (0.54) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL4403903 0.88 ALDH1A1 (0.57) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL4154642 0.86 MEN1 (0.56) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL893963 0.86 BCHE (0.63) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL11637705 0.86 BCHE (0.60) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL11638716 0.85 BCHE (0.51) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL7689676 0.85 BCHE (0.51) BCHEMEN1KMT2ATDP1ANPEP
SCHEMBL7160696 0.85 BCHE (0.51) BCHEMEN1KMT2ATDP1ANPEP

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-20030158152-A1 Protease inhibitors and their pharmaceutical uses CRUZ-FIOCRUZ, FUNDACAO OSWALDO (BR) 2003-08-21 US claimed
US-20030158152-A1 Protease inhibitors and their pharmaceutical uses CRUZ-FIOCRUZ, FUNDACAO OSWALDO (BR) 2003-08-21 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-20030158152-A1 Protease inhibitors and their pharmaceutical uses PEPD, DNPEP, PREP BCHE 208/4885MEN1 1822/4885KMT2A 2579/4885

“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.