SCHEMBL8129228

SCHEMBL8129228

COc1nncc2c(C)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2A6 P11509 2/20 0.43
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
BRAF P15056 2/20 0.35
TNKS O95271 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 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
SCHEMBL30418421 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2C19CYP2A6KDM4E
SCHEMBL8129269 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2C19CYP2A6KDM4E
SCHEMBL29027031 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP2C19KDM4ESMN1; SMN2
SCHEMBL8118928 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL30417163 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL30417837 0.78 MAPT (0.39) CYP1A2ALDH1A1CYP2A6KDM4EHPGD
SCHEMBL8127529 0.78 MAPT (0.39) CYP1A2ALDH1A1CYP2A6KDM4EHPGD
SCHEMBL8119896 0.77 TP53 (0.47) CYP1A2ALDH1A1CYP2C19CYP2A6KDM4E
SCHEMBL30418201 0.77 TP53 (0.47) CYP1A2ALDH1A1CYP2C19CYP2A6KDM4E
SCHEMBL8404452 0.76 CYP1A2 (0.50) CYP1A2ALDH1A1CYP2A6KDM4EHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012145-A1 ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-28 EP claimed
WO-1999011628-A1 ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHI BITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 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 (6 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885ALDH1A1 2337/4885CYP2C19 4082/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CYP1A2 3666/4885ALDH1A1 2337/4885CYP2C19 4082/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885ALDH1A1 2337/4885CYP2C19 4082/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 CYP1A2 687/4885ALDH1A1 3441/4885CYP2C19 398/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885ALDH1A1 2337/4885CYP2C19 4082/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 CYP1A2 4205/4885ALDH1A1 2307/4885CYP2C19 3866/4885

“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.