Sugi Predict

Sugi Predict / Compounds / SCHEMBL6801262

SCHEMBL6801262

SCHEMBL6801262

N#C[CH]COCc1cccc(C(N)=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL5759430 0.86 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6802522 0.83 PBRM1 (0.38) KMT2AMEN1ALDH1A1LMNAMRGPRX4
SCHEMBL6799994 0.82 KMT2A (0.37) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6795938 0.79 ADRA1D (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL27701476 0.71 PNMT (0.52) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6802864 0.70 PARP1 (0.42) ALDH1A1MRGPRX4
SCHEMBL28204617 0.70 PARP1 (0.46) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL2896616 0.70 PARP1 (0.44) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL2921307 0.69 KDM4E (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6796241 0.69 PARP10 (0.50) KMT2AALDH1A1

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 2882/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885MEN1 2882/4885ALDH1A1 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.