SCHEMBL5566007

SCHEMBL5566007

CCC(CC)C(c1ccc(NC(N)=S)cc1)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 12/20 0.43
CYP26A1 O43174 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.38

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
SCHEMBL4046842 0.86 CYP17A1 (0.57) CYP17A1CYP26A1KDM4ECYP19A1
SCHEMBL14837761 0.84 CYP17A1 (0.49) CYP17A1CYP26A1KDM4E
SCHEMBL14837689 0.80 CYP17A1 (0.48) CYP17A1CYP19A1
SCHEMBL13720325 0.77 KDM4E (0.54) CYP17A1CYP26A1KDM4E
SCHEMBL5124051 0.75 CYP26A1 (0.56) CYP26A1KDM4E
SCHEMBL5566011 0.75 CYP17A1 (0.40) CYP17A1CYP26A1
Hydrochloric Acid SCHEMBL4056640 0.74 NPSR1 (0.46) CYP17A1CYP26A1KDM4E
SCHEMBL4053250 0.73 CYP17A1 (0.42) CYP17A1CYP19A1
SCHEMBL4056699 0.73 CYP17A1 (0.57) CYP17A1CYP26A1KDM4E
SCHEMBL4987125 0.71 CYP26A1 (0.73) CYP26A1

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
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed

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-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885CYP26A1 27/4885KDM4E 3791/4885

“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.