SCHEMBL410598

SCHEMBL410598

CC(=O)CC(c1ccccc1)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.56
▸ CYP24A1 Q07973 11/20 0.54
▸ CYP19A1 P11511 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP27B1 O15528 2/20 0.51
▸ HMOX2 P30519 1/20 0.49

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
SCHEMBL6983161 0.88 CYP24A1 (0.56) CYP17A1CYP24A1CYP19A1KDM4ECYP27B1
SCHEMBL9201425 0.86 CYP19A1 (0.55) CYP17A1CYP24A1CYP19A1CYP27B1
SCHEMBL19054890 0.85 CYP17A1 (0.56) CYP17A1CYP24A1CYP19A1CYP27B1
SCHEMBL19054884 0.85 MAPT (0.56) CYP17A1CYP24A1KDM4ECYP27B1
Hydrochloric Acid SCHEMBL3643107 0.85 CYP17A1 (0.48) CYP17A1
SCHEMBL7122603 0.82 CYP17A1 (0.53) CYP17A1CYP24A1CYP19A1KDM4ECYP27B1
SCHEMBL9432260 0.82 CYP19A1 (0.58) CYP17A1CYP19A1KDM4E
Hydrochloric Acid SCHEMBL3650043 0.81 CYP24A1 (0.53) CYP17A1CYP24A1CYP19A1KDM4E
Hydrochloric Acid SCHEMBL3757776 0.80 CYP19A1 (0.60) CYP17A1CYP24A1CYP19A1KDM4E
SCHEMBL19054892 0.80 CYP17A1 (0.68) CYP17A1CYP24A1CYP19A1CYP27B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514145-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2019-07-24 — — EP disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 — — 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 (1 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP17A1 556/4885CYP24A1 1700/4885CYP19A1 641/4885

“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.

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