SCHEMBL4395915

SCHEMBL4395915

CC1(CN2C(=O)SC(=Cc3ccc(N)cc3)C2=O)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
MTOR P42345 1/20 0.54
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
MAPK1 P28482 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
PARP1 P09874 1/20 0.45
HPGD P15428 1/20 0.45
CISD1 Q9NZ45 2/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
AKR1B1 P15121 4/20 0.43
PPARG P37231 2/20 0.42

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
SCHEMBL15223581 1.00 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171996 0.89 AURKA (0.55) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172001 0.89 AURKA (0.55) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173467 0.88 CA9 (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173471 0.88 CA9 (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2170996 0.88 AKR1B1 (0.57) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172861 0.88 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172858 0.88 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2170994 0.88 AKR1B1 (0.57) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173145 0.88 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 AURKA 1403/4885MTOR 3342/4885PRKAG1 330/4885

“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.