SCHEMBL4478558

SCHEMBL4478558

Nc1ccc(N2CC=CC(=O)C2=S)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4461931 0.79 MAPT (0.41) ALDH1A1MAPTGAAPOLBLMNA
SCHEMBL13370603 0.67 MAPT (0.56) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL7160788 0.66
SCHEMBL433283 0.65
SCHEMBL11497375 0.61 GRIN2D (0.37)
SCHEMBL23676376 0.60 MGLL (0.60) ALDH1A1NPSR1LMNAMAPK1TDP1
SCHEMBL6392634 0.60 MGLL (0.50) MAPTKMT2AMEN1HTTNPC1
SCHEMBL4796187 0.60 FAAH (0.50) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL284697 0.59 MGLL (0.75) ALDH1A1NPSR1LMNAMAPK1TDP1
SCHEMBL1111106 0.59 MEN1 (0.50) DDB1CRBNALDH1A1MAPTKDM4E

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-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 DDB1 2555/4885CRBN 3151/4885ALDH1A1 508/4885

“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.