Sugi Predict

Sugi Predict / Compounds / SCHEMBL2628037

SCHEMBL2628037

SCHEMBL2628037

NC(C(=O)O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CFTR P13569 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ GOPC Q9HD26 1/20 0.52
▸ GRM8 O00222 1/20 0.51
▸ GRM4 Q14833 1/20 0.51
▸ KCNA5 P22460 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ APP P05067 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ TBXAS1 P24557 2/20 0.46
▸ KCNN4 O15554 2/20 0.46
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ SARM1 Q6SZW1 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL17308611 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11088662 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3616276 0.98 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11090873 0.98 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16444687 0.98 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3644679 0.98 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11487828 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL19319049 0.85 TBXAS1 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1354541 0.85 F7 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1354543 0.85 F7 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 — — US disclosed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 — — EP disclosed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 — — WO disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 — — EP disclosed
EP-2242752-B1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 — — EP disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 — — EP disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 — — US disclosed
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
US-20060241097-A1 Pesticidal substituted 1,2,5-thiadiazole derivatives FMC CORPORATION (US) 2006-10-26 — — US disclosed
WO-2005006858-A2 PESTICIDAL SUBSTITUTED 1,2,5,-THIADIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-01-27 — — WO disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 — — WO disclosed
EP-0374756-A2 Nitrogen-containing cyclic compounds MERCK PATENT GmbH (DE) 1990-06-27 — — EP disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 — — US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 — — US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 — — US disclosed
US-4088816-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-05-09 — — 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 (5 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-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G SMN1; SMN2 4066/4885CFTR 436/4885SLC6A2 1210/4885
US-20060241097-A1 Pesticidal substituted 1,2,5-thiadiazole derivatives DDT, ACHE, O60361 SMN1; SMN2 3165/4885CFTR 2498/4885SLC6A2 3831/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP SMN1; SMN2 2830/4885CFTR 3614/4885SLC6A2 3650/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 SMN1; SMN2 1970/4885CFTR 4369/4885SLC6A2 386/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV SMN1; SMN2 3613/4885CFTR 287/4885SLC6A2 4594/4885

“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.