SCHEMBL6512226

SCHEMBL6512226

O=C(NC1CCc2cc(Br)ccc2C1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PRMT5 O14744 3/20 0.47
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CTSC P53634 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
MCHR1 Q99705 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6512220 1.00 HDAC8 (0.53) HDAC8HDAC6NPC1RAB9APRMT5
SCHEMBL6518075 1.00 HDAC8 (0.53) HDAC8HDAC6NPC1RAB9APRMT5
SCHEMBL14304774 0.96 HDAC8 (0.50) HDAC8HDAC6NPC1RAB9APRMT5
SCHEMBL2076587 0.90 NPC1 (0.52) HDAC8HDAC6NPC1RAB9APRMT5
SCHEMBL354918 0.89 CA1 (0.53) HDAC8HDAC6PRMT5CA1CA2
SCHEMBL354919 0.89 CA1 (0.53) HDAC8HDAC6PRMT5CA1CA2
SCHEMBL17478438 0.87 MTNR1A (0.53) HDAC8NPC1RAB9ACTSBCTSK
SCHEMBL17478436 0.87 MTNR1A (0.53) HDAC8NPC1RAB9ACTSBCTSK
SCHEMBL355015 0.84 CA1 (0.58) HDAC8MCHR1CA1CA2ACHE
SCHEMBL355780 0.84 CA1 (0.58) HDAC8MCHR1CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 HDAC8 2216/4885HDAC6 2016/4885NPC1 425/4885

“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.