SCHEMBL1444734

SCHEMBL1444734

O=CNc1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL11263589 0.78 ALDH1A1 (0.41) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL2261746 0.76 ALDH1A1 (0.40) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL27755264 0.76 ALDH1A1 (0.40) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL27691414 0.74 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL3419306 0.72
SCHEMBL1977535 0.72 ALDH1A1 (0.36) ALDH1A1CCNE2CDK4CCND1CCNE1
SCHEMBL2896327 0.69 ALDH1A1 (0.45) ALDH1A1LMNA
SCHEMBL9900080 0.69 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL147656 0.69
SCHEMBL241795 0.68 RAB9A (0.46) ALDH1A1LMNA

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 13 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 claimed
US-8809550-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2014-08-19 US claimed
EP-2475647-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-18 EP claimed
US-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-05 US claimed
CN-102482230-A Androgen receptor antagonists and uses thereof YOUZHI TONG 2012-05-30 CN claimed
WO-2011029392-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2011-03-17 WO claimed
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
EP-2475647-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-18 EP disclosed
US-20120172406-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF Tong, Youzhi (CN) 2012-07-05 US disclosed
CN-102482230-A Androgen receptor antagonists and uses thereof YOUZHI TONG 2012-05-30 CN disclosed
WO-2011029392-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF TONG YOUZHI (CN) 2011-03-17 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 (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 ALDH1A1 786/4885CCNE2 2377/4885CDK4 563/4885
US-20140315957-A1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF AR, SHBG, MUSK ALDH1A1 786/4885CCNE2 2377/4885CDK4 563/4885

“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.