SCHEMBL7029210

SCHEMBL7029210

COC(=O)Nc1ccc(C(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.49
BACE1 P56817 5/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NR3C1 P04150 1/20 0.41
AKT1 P31749 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL7024089 0.82 SMN1; SMN2 (0.51) CASRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7024437 0.81 HDAC1 (0.45) CASRBACE1HDAC3HDAC1HDAC2
SCHEMBL28466070 0.78 HDAC1 (0.51) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3615871 0.75 HDAC3 (0.42) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4147838 0.75 HDAC1 (0.56) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4326881 0.75 CTSL (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL757279 0.75 HDAC1 (0.48) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5884593 0.74 HDAC1 (0.53) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL19294226 0.74 HDAC1 (0.46) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL17595115 0.74 BACE1 (0.49) BACE1HDAC3HDAC1HDAC2NCOR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 CASR 1433/4885BACE1 2823/4885HDAC3 2257/4885

“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.