SCHEMBL4219142

SCHEMBL4219142

C[C@H](N)C(=O)N(C)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
AR P10275 1/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MLYCD O95822 1/20 0.33
ITK Q08881 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
CYP3A4 P08684 1/20 0.33
IMPDH2 P12268 1/20 0.33
XDH P47989 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RORC P51449 1/20 0.32
IDE P14735 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL8409270 0.88 MLYCD (0.44) PGRARMAOAMAOBCHRNB2
SCHEMBL1380362 0.75 AR (0.46) PGRARMLYCDAAK1CYP3A4
SCHEMBL18613990 0.74 AAK1 (0.48) AAK1CYP3A4ALDH1A1
SCHEMBL4901224 0.72 MAOA (0.41) PGRARMAOAMAOBALDH1A1
SCHEMBL8407140 0.72 MLYCD (0.48) PGRARMAOAMAOBMLYCD
SCHEMBL31026325 0.71 AR (0.62) PGRARMLYCD
SCHEMBL22312033 0.70 MLYCD (0.45) MAOAMAOBMLYCDALDH1A1
SCHEMBL8771950 0.70 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4MLYCD
SCHEMBL26644163 0.70 KMT2A (0.46) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL8586518 0.70 KMT2A (0.46) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E

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-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 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-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 PGR 24/4885AR 1/4885MAOA 629/4885

“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.