Sugi Predict

Sugi Predict / Compounds / SCHEMBL6806709

SCHEMBL6806709

SCHEMBL6806709

N#C[CH]Cc1ccc2ccccc2c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL4575100 0.81 MEN1 (0.38) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL366864 0.79 MTNR1A (0.37) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL3936169 0.79 MEN1 (0.40) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL28000844 0.78 MTNR1A (0.42) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL4666055 0.77 MEN1 (0.38) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL6801208 0.77 WDR5 (0.38) MEN1KMT2APARP10HPGDALDH1A1
SCHEMBL15345389 0.77 KDM4E (0.44) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL28189392 0.77 MAPK8 (0.42) MTNR1AMEN1KMT2APARP10HPGD
SCHEMBL15775625 0.76 KDM4E (0.38) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL6021459 0.75 MTNR1A (0.37) MTNR1AMEN1KMT2APARP10HPGD

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 MTNR1A 2633/4885MEN1 2882/4885KMT2A 4408/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MTNR1A 2633/4885MEN1 2882/4885KMT2A 4408/4885

“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.