SCHEMBL6801208

SCHEMBL6801208

N#C[CH]Cc1c(C(N)=O)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
LDHA P00338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 1/20 0.36
PABPC1 P11940 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5028929 0.81 WDR5 (0.41) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL3939222 0.79 WDR5 (0.40) WDR5KMT2AMEN1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL7765352 0.79 WDR5 (0.40) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL23515370 0.78 HSD17B10 (0.53) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL29625744 0.78 HSD17B10 (0.53) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL6806709 0.77 MTNR1A (0.35) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4665440 0.77 WDR5 (0.38) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL15345335 0.77 KDM4E (0.58) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL11594011 0.75 NCEH1 (0.50) WDR5KMT2AMEN1KDM4EALDH1A1
SCHEMBL15776037 0.75 CYP1B1 (0.41) WDR5KMT2AMEN1KDM4EALDH1A1

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 WDR5 4778/4885KMT2A 4408/4885MEN1 2882/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV WDR5 4778/4885KMT2A 4408/4885MEN1 2882/4885

“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.