SCHEMBL4990080

SCHEMBL4990080

CN1C(=O)C(F)=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(C)(C)c3nc4cccnc4[nH]3)CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.64
SRD5A1 P18405 4/20 0.40
SRD5A2 P31213 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
HSD3B1 P14060 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL4990073 1.00 AR (0.64) ARSRD5A1SRD5A2LMNACYP3A4
Mk-0773 SCHEMBL13935743 0.85 AR (0.81) ARSRD5A2
SCHEMBL4990703 0.85 AR (0.64) ARSRD5A1SRD5A2
Mk-0773 SCHEMBL13604131 0.85 AR (0.81) ARSRD5A2
Mk-0773 SCHEMBL4169174 0.85 AR (0.81) ARSRD5A2
Mk-0773 SCHEMBL4169171 0.85 AR (0.81) ARSRD5A2
SCHEMBL4990696 0.85 AR (0.64) ARSRD5A1SRD5A2
SCHEMBL14091127 0.85 AR (0.66) ARSRD5A1SRD5A2
SCHEMBL4998755 0.85 AR (0.66) ARSRD5A1SRD5A2
SCHEMBL4998907 0.85 AR (0.66) ARSRD5A1SRD5A2

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-7410977-B2 Fluorinated 4-azasteroids as androgen receptor modulators MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-10-18 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-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators NR5A1, AR, SHBG AR 2/4885SRD5A1 15/4885SRD5A2 19/4885

“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.