SCHEMBL28046302

SCHEMBL28046302

COCCOc1ccc(-c2cccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.74
CYP19A1 P11511 4/20 0.74
CYP2D6 P10635 3/20 0.74
CYP2C19 P33261 3/20 0.74
CYP2C9 P11712 2/20 0.74
CYP11B2 P19099 4/20 0.53
CYP11B1 P15538 2/20 0.53
CYP17A1 P05093 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 2/20 0.48
BRAF P15056 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL14129887 0.85 CYP2D6 (1.00) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL12129582 0.84 CYP19A1 (0.69) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL5751218 0.83 CYP19A1 (0.73) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL13527207 0.83 CYP2D6 (0.94) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL14080906 0.82 CYP19A1 (0.71) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL4861343 0.82 CYP19A1 (0.71) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL10338918 0.81 CYP19A1 (0.76) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL9435138 0.81 CYP2D6 (0.91) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL9650521 0.81 CYP2D6 (0.91) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9
SCHEMBL15740967 0.81 CYP2D6 (0.91) CYP3A4CYP19A1CYP2D6CYP2C19CYP2C9

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-12527776-B2 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) GENZYME CORPORATION (US) 2026-01-20 US disclosed
US-12083115-B2 Methods for treating neurological symptoms associated with lysosomal storage diseases GENZYME CORPORATION (US) 2024-09-10 US disclosed
US-20230372313-A1 METHODS FOR REDUCING GLYCOSPHINGOLIPID CONCENTRATION IN BRAIN TISSUE AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISEASES INVOLVING THE SAME GENZYME CORPORATION 2023-11-23 US disclosed
US-20220023273-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GENZYME CORPORATION (US) 2022-01-27 US disclosed
CN-108864076-A glucosylceramide synthase inhibitors 建新公司 2018-11-23 CN disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN 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 (4 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-12527776-B2 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) GBA1, GBA2, GALC CYP3A4 4189/4885CYP19A1 3771/4885CYP2D6 2850/4885
US-12083115-B2 Methods for treating neurological symptoms associated with lysosomal storage diseases GBA1, GBA2, CLN6 CYP3A4 4870/4885CYP19A1 4793/4885CYP2D6 4777/4885
US-20230372313-A1 METHODS FOR REDUCING GLYCOSPHINGOLIPID CONCENTRATION IN BRAIN TISSUE AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISEASES INVOLVING THE SAME GBA1, GBA2, GALC CYP3A4 2006/4885CYP19A1 1180/4885CYP2D6 1316/4885
US-20220023273-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GAA, GBA1, CMA1 CYP3A4 2522/4885CYP19A1 1773/4885CYP2D6 1312/4885

“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.