Sugi Predict

Sugi Predict / Compounds / SCHEMBL758308

SCHEMBL758308

SCHEMBL758308

Cc1cc2ncc(C(=O)O)c(C)n2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.77
▸ NPC1 O15118 8/20 0.62
▸ RAB9A P51151 8/20 0.62
▸ KDM4E B2RXH2 6/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ HPGD P15428 4/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.58
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL5660816 0.87 CYP1A2 (1.00) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5068803 0.85 CYP1A2 (0.60) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3284181 0.85 CYP1A2 (0.74) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5070873 0.84 NPC1 (0.56) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18826019 0.84 NPC1 (0.59) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18787654 0.84 NPC1 (0.67) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28614649 0.84 CYP1A2 (0.59) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL759906 0.84 CYP1A2 (0.59) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL20455857 0.81 CYP1A2 (0.56) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28626791 0.81 CYP1A2 (0.56) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 — — US claimed
WO-2016193988-A1 AN ADVANTAGEOUS PROCESS FOR PREPARING ANAGLIPTIN AND ITS NOVEL CRYSTALLINE FORM-H HARMAN FINOCHEM LIMITED (IN) 2016-12-08 — — WO disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 — — US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 — — US disclosed
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 — — EP disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 — — WO disclosed
WO-2014184235-A1 BENZAMIDE TRPA1 ANTAGONISTS Acturum Life Science AB (SE) 2014-11-20 — — WO disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 — — US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 — — EP disclosed
US-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 — — US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 — — US disclosed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — WO disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — 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 (4 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 CYP1A2 54/4885NPC1 3952/4885RAB9A 3654/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE CYP1A2 3839/4885NPC1 333/4885RAB9A 3129/4885
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 CYP1A2 1181/4885NPC1 386/4885RAB9A 1274/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 CYP1A2 2621/4885NPC1 1045/4885RAB9A 3615/4885

“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.