SCHEMBL7122086

SCHEMBL7122086

Cc1cc(C#N)ccc1N=C=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 2/20 0.39
AR P10275 4/20 0.35
LMNA P02545 1/20 0.35
EGLN2 Q96KS0 4/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
ABCB11 O95342 1/20 0.32
NR3C1 P04150 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 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
SCHEMBL1967552 0.81 CYP3A4 (0.46) ALDH1A1CYP2A6AREGLN2CYP11B1
SCHEMBL7112459 0.79 GABRA1 (0.44) ALDH1A1CYP2A6ARLMNAEGLN2
SCHEMBL21386557 0.79 GRM5 (0.38) ALDH1A1CYP2A6ARLMNAABCB11
SCHEMBL11938978 0.78 CA12 (0.39) ALDH1A1ARABCB11NR3C1CYP1A2
SCHEMBL11554956 0.78 KIF11 (0.34) ALDH1A1EGLN2CYP11B1CYP11B2ABCB11
SCHEMBL7120694 0.78 VCAM1 (0.39) ALDH1A1ARLMNAEGLN2CYP11B1
SCHEMBL25918967 0.77 APP (0.40) ALDH1A1LMNAABCB11NR3C1CYP1A2
SCHEMBL28081371 0.77 AR (0.49) ALDH1A1AREGLN2CYP11B1CYP11B2
SCHEMBL7113859 0.77 KIF11 (0.37) ALDH1A1CYP2A6CYP1A2
SCHEMBL13952700 0.77 ALDH1A1 (0.41) ALDH1A1CYP2A6ARLMNAEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475647-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2015-11-04 EP disclosed
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
WO-2011029392-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2011-03-17 WO disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO 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 (3 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 ALDH1A1 786/4885CYP2A6 1105/4885AR 1/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885CYP2A6 182/4885AR 23/4885
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK ALDH1A1 786/4885CYP2A6 1105/4885AR 1/4885

“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.