SCHEMBL6802045

SCHEMBL6802045

O=C(Nc1ccccc1)c1ccc2ncsc2c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.78
NPC1 O15118 14/20 0.76
RAB9A P51151 14/20 0.76
KMT2A Q03164 9/20 0.76
MEN1 O00255 8/20 0.76
NAMPT P43490 2/20 0.74
POLB P06746 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
HKDC1 Q2TB90 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 2/20 0.62
RXFP1 Q9HBX9 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL16291971 0.87 GFER (1.00) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL13702095 0.87 RAB9A (0.68) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL1362535 0.87 RAB9A (0.68) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL7452160 0.86 NPC1 (0.64) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL13702096 0.82 NPC1 (0.77) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL16689189 0.82 RAB9A (0.70) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL28126311 0.81 GFER (0.63) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL13485767 0.80 NPC1 (0.68) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL31053633 0.80 NPC1 (0.68) GFERNPC1RAB9AKMT2AMEN1
SCHEMBL16305296 0.80 GFER (0.73) GFERNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US disclosed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2001027096-A9 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS PROTHERICS MOLECULAR DESIGN LT (GB) 2001-07-12 WO disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV GFER 3919/4885NPC1 239/4885RAB9A 256/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV GFER 3919/4885NPC1 239/4885RAB9A 256/4885

“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.