SCHEMBL4877668

SCHEMBL4877668

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
CASP1 P29466 4/20 0.74
CASP4 P49662 4/20 0.74
CASP5 P51878 4/20 0.74
MAPT P10636 3/20 0.74
CYP3A4 P08684 3/20 0.74
MAPK1 P28482 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CYP2C9 P11712 2/20 0.74
HIF1A Q16665 2/20 0.74
RGS12 O14924 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
GNAI1 P63096 1/20 0.74
GLA P06280 1/20 0.74
TDP1 Q9NUW8 1/20 0.74

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
Hydrochloric Acid SCHEMBL10720129 0.99 ALDH1A1 (0.73) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL10724112 0.95 ALDH1A1 (0.67) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL31066922 0.87 ALDH1A1 (0.56) ALDH1A1CASP1CASP4CASP5MAPT
Hydrochloric Acid SCHEMBL9725003 0.85 CASP1 (0.54) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL4879271 0.85 CASP1 (1.00) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL24125220 0.85 CASP1 (1.00) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL14360999 0.85 CASP1 (1.00) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL25994360 0.85 CASP1 (1.00) ALDH1A1CASP1CASP4CASP5MAPT
Hydrochloric Acid SCHEMBL10721988 0.84 CASP1 (0.98) ALDH1A1CASP1CASP4CASP5MAPT
SCHEMBL9202083 0.84 ALDH1A1 (0.53) ALDH1A1CASP1CASP4CASP5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2025-02-27 US claimed
EP-4475853-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS Prendergast, Patrick T. (IE) 2024-12-18 EP claimed
CN-118804754-A Compositions and methods for treating and preventing diseases using tirapazad salts 帕特里克·T·普伦德加斯特 2024-10-18 CN claimed
US-20240285653-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (AU) 2024-08-29 US claimed
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 WO claimed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US claimed
WO-2005016243-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA CORPORATION (US) 2005-02-24 WO claimed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 EP claimed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 US claimed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2025-02-27 US disclosed
EP-4475853-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS Prendergast, Patrick T. (IE) 2024-12-18 EP disclosed
CN-118804754-A Compositions and methods for treating and preventing diseases using tirapazad salts 帕特里克·T·普伦德加斯特 2024-10-18 CN disclosed
CN-1118580-C Characterization of polypeptides BRAX GENOMICS LTD (GB) 2003-08-20 CN disclosed
EP-1027454-A1 CHARACTERISING POLYPEPTIDES Brax Group Limited (GB) 2000-08-16 EP disclosed
CN-1244218-A Characterising polypeptides BRAX GENOMICS LTD (GB) 2000-02-09 CN disclosed
WO-1998032876-A1 CHARACTERISING POLYPEPTIDES BRAX GROUP LIMITED (GB) 1998-07-30 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 (3 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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 ALDH1A1 730/4885CASP1 2973/4885CASP4 3093/4885
US-20240285653-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS TTR, MTPN, CYP24A1 ALDH1A1 1494/4885CASP1 818/4885CASP4 1557/4885
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS CYP24A1, IL23R, IL17A ALDH1A1 586/4885CASP1 838/4885CASP4 1450/4885

“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.