SCHEMBL6802007

SCHEMBL6802007

N#C[CH]COCc1cccc(OC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ACHE P22303 4/20 0.36
F2 P00734 3/20 0.36
KCNH2 Q12809 1/20 0.34
NR4A2 P43354 3/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 2/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33

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
SCHEMBL6802864 0.81 PARP1 (0.42) MAOBPARP10PARP15PARP14
SCHEMBL6800886 0.80 LOXL2 (0.39) F2
SCHEMBL27526614 0.72 KMT2A (0.68) KMT2AMEN1ACHEMAOB
SCHEMBL2723540 0.72 KMT2A (0.68) KMT2AMEN1ACHE
SCHEMBL6796241 0.72 PARP10 (0.50) KMT2AMAOBPARP10PARP15PARP14
SCHEMBL9314358 0.70 KMT2A (0.66) KMT2AMEN1ACHETDP1
SCHEMBL2721243 0.70 KMT2A (0.66) KMT2AMEN1ACHEPARP10PARP15
Hydrochloric Acid SCHEMBL29289837 0.70 KMT2A (0.66) KMT2AMEN1ACHEMAOB
SCHEMBL4664288 0.70 MEN1 (0.51) KMT2AMEN1ACHEMAOB
SCHEMBL6802386 0.70 KMT2A (0.37) KMT2AMEN1TDP1MAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US claimed
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

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 KMT2A 4408/4885MEN1 2882/4885ACHE 2954/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885MEN1 2882/4885ACHE 2954/4885

“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.