SCHEMBL19951504

SCHEMBL19951504

O=c1[nH]nc(N2CCN(c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ENPP1 P22413 1/20 0.52
▸ ROCK2 O75116 2/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ PARP1 P09874 5/20 0.49
▸ SMO Q99835 1/20 0.48
▸ ATM Q13315 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.44

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
SCHEMBL30417899 1.00 TSHR (0.63) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL19951493 0.88 LMNA (0.51) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL30418223 0.88 LMNA (0.51) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13721430 0.84 PARP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13720770 0.84 HTR3A (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL831675 0.83 ENPP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL29688141 0.83 ENPP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13720391 0.82 ALDH1A1 (0.60) LMNAALDH1A1HPGDENPP1ROCK2
SCHEMBL13720327 0.81 ENPP1 (0.55) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL5160196 0.80 LMNA (0.57) TSHRLMNAALDH1A1HPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4077/4885LMNA 4638/4885ALDH1A1 2337/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 TSHR 4077/4885LMNA 4638/4885ALDH1A1 2337/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TSHR 4077/4885LMNA 4638/4885ALDH1A1 2337/4885
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 TSHR 4714/4885LMNA 1413/4885ALDH1A1 3441/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TSHR 4077/4885LMNA 4638/4885ALDH1A1 2337/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 TSHR 4615/4885LMNA 1414/4885ALDH1A1 2307/4885

“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.

Send feedback