Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802962

SCHEMBL6802962

SCHEMBL6802962

N#C[CH]Cc1cccc(Cl)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ PNMT P11086 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
SCHEMBL6802522 0.83 PBRM1 (0.38) POLBPBRM1ALDH1A1LMNATAS1R3
SCHEMBL3762613 0.82 SLC6A2 (0.32) POLBPBRM1
SCHEMBL6802928 0.82 DYRK1A (0.33) POLB
SCHEMBL6799994 0.79 KMT2A (0.37) POLBALDH1A1LMNAHPGDTSHR
SCHEMBL27701506 0.75 PNMT (0.55) POLBPBRM1ALDH1A1PKMLMNA
SCHEMBL5545065 0.75 ALDH1A1 (0.47) POLBPBRM1ALDH1A1PKMLMNA
SCHEMBL2921307 0.74 KDM4E (0.41) POLBALDH1A1PKMLMNAHPGD
SCHEMBL14527852 0.74 ALDH1A1 (0.45) POLBPBRM1ALDH1A1PKMLMNA
SCHEMBL2924114 0.74 ADRA1D (0.37) ADRA1DCYP2D6
SCHEMBL6806709 0.74 MTNR1A (0.35) ALDH1A1HPGDHTTGAAMEN1

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 POLB 1578/4885PBRM1 4695/4885ALDH1A1 1591/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV POLB 1578/4885PBRM1 4695/4885ALDH1A1 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.