SCHEMBL6802136

SCHEMBL6802136

N#C[CH]Cn1c(C(N)=O)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MAP3K7 O43318 1/20 0.40
HSD17B10 Q99714 2/20 0.40
PRF1 P14222 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL31008799 0.77 CYP1A2 (0.58) SMN1; SMN2POLBALDH1A1HPGDL3MBTL1
SCHEMBL4784826 0.74 CYP2C19 (0.57) SMN1; SMN2POLBALDH1A1L3MBTL1KDM4E
SCHEMBL28377715 0.74 ALDH1A1 (0.72) SMN1; SMN2POLBALDH1A1HPGDL3MBTL1
SCHEMBL16146168 0.73 CNR2 (0.52) SMN1; SMN2POLBALDH1A1KDM4ERECQL
SCHEMBL28377075 0.72 TLR8 (0.62) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL28378028 0.71 TLR8 (0.63) SMN1; SMN2POLBALDH1A1L3MBTL1KDM4E
SCHEMBL28373626 0.70 TLR8 (0.64) SMN1; SMN2POLBALDH1A1RECQLTP53
SCHEMBL21714268 0.70 POLB (0.61) SMN1; SMN2POLBALDH1A1HPGDL3MBTL1
SCHEMBL28378368 0.70 TLR8 (0.64) SMN1; SMN2POLBALDH1A1RECQLTP53
SCHEMBL28372897 0.70 TLR8 (0.64) SMN1; SMN2POLBALDH1A1RECQLTP53

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 7 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-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 SMN1; SMN2 4257/4885POLB 1578/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV SMN1; SMN2 4257/4885POLB 1578/4885ALDH1A1 1591/4885

“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.