SCHEMBL11932875

SCHEMBL11932875

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 3/20 0.41
▸ KCNJ11 Q14654 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ CSNK1D P48730 1/20 0.35

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
SCHEMBL11957638 0.78 KIF11 (0.47) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL11932878 0.76 MAPT (0.38) ALDH1A1HTTCA2CA1LMNA
SCHEMBL11932877 0.75 MEN1 (0.38) ABCC9KCNJ11ALDH1A1HTTSMN1; SMN2
SCHEMBL11939097 0.75 KIF11 (0.44) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL19966743 0.75 KIF11 (0.44) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL17680380 0.73 KIF11 (0.57) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL19966755 0.72 ABCC9 (0.51) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL5360276 0.70 KIF11 (0.47) KIF11CYP2A6ALDH1A1HTTCA2
SCHEMBL19708127 0.69 SLC22A12 (0.40) ABCC9KCNJ11KIF11CYP2A6ALDH1A1
SCHEMBL19707399 0.69 MAPT (0.45) ABCC9KCNJ11ALDH1A1HTTCA2

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 ABCC9 4464/4885KCNJ11 3583/4885KIF11 3545/4885
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK ABCC9 4464/4885KCNJ11 3583/4885KIF11 3545/4885

“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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