SCHEMBL6330633

SCHEMBL6330633

O=C(CCc1nc(-c2cccc(O)c2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 4/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6325282 0.93 HPGD (0.49) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6327904 0.92 HPGD (0.59) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6324654 0.91 TSHR (0.60) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6326496 0.91 HPGD (0.49) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6328284 0.91 HPGD (0.52) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6327917 0.90 HPGD (0.47) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6324028 0.90 HPGD (0.59) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6332706 0.90 TSHR (0.52) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6326426 0.90 KMT2A (0.54) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6326959 0.89 ALDH1A1 (0.45) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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 HPGD 1188/4885CYP1A2 3666/4885CYP2D6 2582/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 HPGD 1188/4885CYP1A2 3666/4885CYP2D6 2582/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 HPGD 539/4885CYP1A2 567/4885CYP2D6 410/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HPGD 1188/4885CYP1A2 3666/4885CYP2D6 2582/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HPGD 1188/4885CYP1A2 3666/4885CYP2D6 2582/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 HPGD 80/4885CYP1A2 4205/4885CYP2D6 1893/4885

“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.