SCHEMBL6802967

SCHEMBL6802967

N#CC(C(N)=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TRPM8 Q7Z2W7 5/20 0.43
ACP3 P15309 1/20 0.41
ADRA1D P25100 1/20 0.41
CTSB P07858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL21632242 0.85 KMT2A (0.51) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL4170398 0.83 MEN1 (0.43) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL4695083 0.80 MEN1 (0.43) KMT2AMEN1ACP3CTSBALDH1A1
SCHEMBL19924548 0.80 KMT2A (0.54) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL4171773 0.80 MEN1 (0.43) KMT2AMEN1ACP3CTSBALDH1A1
SCHEMBL29875053 0.80 KMT2A (0.54) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL1353575 0.79 PARP1 (0.50) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL1353577 0.79 PARP1 (0.50) PARP1KMT2AMEN1TRPM8ACP3
SCHEMBL6802464 0.79 HDAC4 (0.44) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL9321022 0.78 ALDH1A1 (0.44) ADRA1DALDH1A1SMN1; SMN2GAA

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 5 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

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 PARP1 2122/4885KMT2A 4408/4885MEN1 2882/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PARP1 2122/4885KMT2A 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.