SCHEMBL742876

SCHEMBL742876

CSCCC(C=O)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RNPEP Q9H4A4 1/20 0.38
CTSK P43235 5/20 0.36
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
FOLH1 Q04609 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL1697387 1.00 ALDH1A1 (0.41) ALDH1A1RNPEPCTSKLMNACYP2C9
SCHEMBL6275580 0.85 RNPEP (0.42) ALDH1A1RNPEPCTSKLMNAGAA
SCHEMBL5848394 0.85 RNPEP (0.42) ALDH1A1RNPEPCTSKLMNAGAA
SCHEMBL24234636 0.82 TUBB4A (0.36) ALDH1A1CTSKTUBB4ATUBBTUBA3C
SCHEMBL8971895 0.82 ALDH1A1 (0.45) ALDH1A1CTSKFOLH1
SCHEMBL25465168 0.82 ALDH1A1 (0.45) ALDH1A1CTSKFOLH1
SCHEMBL27907967 0.81 CTSK (0.44) ALDH1A1RNPEPCTSKCYP2C9
SCHEMBL18328807 0.81 CTSD (0.45) ALDH1A1FOLH1
SCHEMBL23133173 0.81 CTSD (0.45) ALDH1A1FOLH1
SCHEMBL6041187 0.81 CTSD (0.45) ALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-09-23 US claimed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US claimed
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-05-09 US disclosed
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-13 US disclosed
US-20230372308-A1 TREATING PRIMARY OR IDIOPATHIC HYPEROXALURIA WITH SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE VANDERBILT UNIVERSITY 2023-11-23 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-11752138-B2 Treating primary or idiopathic hyperoxaluria with small molecule inhibitors of lactate dehydrogenase VANDERBILT UNIVERSITY (US) 2023-09-12 US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 US disclosed
EP-3954685-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2022-02-16 EP disclosed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 US disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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 (12 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT ALDH1A1 2068/4885RNPEP 27/4885CTSK 2436/4885
US-20230372308-A1 TREATING PRIMARY OR IDIOPATHIC HYPEROXALURIA WITH SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE XDH, GLS, LDHA ALDH1A1 121/4885RNPEP 1907/4885CTSK 1120/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885RNPEP 599/4885CTSK 1734/4885
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof CETP, CES1, APOB ALDH1A1 2986/4885RNPEP 681/4885CTSK 1374/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 ALDH1A1 985/4885RNPEP 556/4885CTSK 2699/4885
US-11752138-B2 Treating primary or idiopathic hyperoxaluria with small molecule inhibitors of lactate dehydrogenase XDH, GLS, LDHA ALDH1A1 76/4885RNPEP 1936/4885CTSK 1315/4885
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 ALDH1A1 10/4885RNPEP 513/4885CTSK 2160/4885
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD ALDH1A1 709/4885RNPEP 989/4885CTSK 4296/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT ALDH1A1 717/4885RNPEP 395/4885CTSK 2535/4885
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, NPR1 ALDH1A1 936/4885RNPEP 621/4885CTSK 2746/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD ALDH1A1 709/4885RNPEP 989/4885CTSK 4296/4885
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 ALDH1A1 10/4885RNPEP 513/4885CTSK 2160/4885

“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.