SCHEMBL22284875

SCHEMBL22284875

NC(=O)c1ccc(-c2ccc(Cc3ccncc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 12/20 1.00
CYP11B1 P15538 10/20 0.59
CYP11B2 P19099 10/20 0.59
CYP19A1 P11511 6/20 0.59
CYP3A4 P08684 6/20 0.59
PLA2G10 O15496 1/20 0.59
PLA2G2A P14555 1/20 0.59
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
CHEK2 O96017 1/20 0.50
TSHR P16473 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
SCHEMBL23905177 0.94 CYP17A1 (0.89) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL3104632 0.85 CYP17A1 (0.72) CYP17A1HDAC1HDAC6MKNK1MKNK2
SCHEMBL27536266 0.83 CYP17A1 (0.71) CYP17A1CYP3A4PLA2G10PLA2G2AHDAC1
Hydrochloric Acid SCHEMBL4442122 0.83 CYP17A1 (0.70) CYP17A1HDAC1HDAC6MKNK1MKNK2
SCHEMBL7134591 0.82 PLA2G10 (0.83) CYP17A1CYP3A4PLA2G10PLA2G2ATSHR
SCHEMBL15853634 0.81 CYP17A1 (0.68) CYP17A1CYP3A4TSHR
SCHEMBL2987890 0.80 CYP17A1 (0.66) CYP17A1PLA2G10PLA2G2AHDAC1HDAC6
SCHEMBL27193227 0.79 CYP17A1 (0.66) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL27193239 0.78 CYP17A1 (0.62) CYP17A1PLA2G10PLA2G2AHDAC1HDAC6
SCHEMBL18906031 0.77 HDAC1 (0.65) CYP17A1HDAC1HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 US disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 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 (3 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-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 5/4885CYP11B1 7/4885CYP11B2 21/4885
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 10/4885CYP11B1 16/4885CYP11B2 32/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 10/4885CYP11B1 16/4885CYP11B2 32/4885

“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.