SCHEMBL11932877

SCHEMBL11932877

[C-]#[N+]C(C)(C)Nc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ABCC9 O60706 2/20 0.33
▸ ABCC8 Q09428 2/20 0.33
▸ KCNJ11 Q14654 2/20 0.33
▸ KCNJ8 Q15842 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ACHE P22303 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
SCHEMBL11932878 0.81 MAPT (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1011188 0.75 ALDH1A1 (0.44) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11932875 0.75 ABCC9 (0.41) MAPTHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11932874 0.73 TGM2 (0.40) MAPTSMN1; SMN2ALDH1A1
SCHEMBL11932876 0.73 SLC22A12 (0.38) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13788817 0.70 PTPN1 (0.42) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL19334551 0.68 KDM4E (0.47) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11932873 0.68 GAA (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL3786178 0.67 MAPT (0.44) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL23456183 0.67 MAPT (0.43) MEN1KMT2AMAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2014-10-23 — — US disclosed
US-8809550-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-08-19 — — US disclosed
US-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-05 — — 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 (2 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-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK MEN1 3566/4885KMT2A 2136/4885MAPT 2824/4885
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK MEN1 3566/4885KMT2A 2136/4885MAPT 2824/4885

“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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