SCHEMBL2171185

SCHEMBL2171185

CN(C)c1ccc(C=C2SC(=O)N(CC3(C)CCCCC3)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
AURKA O14965 1/20 0.53
MTOR P42345 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 4/20 0.51
RECQL P46063 2/20 0.51
MITF O75030 1/20 0.51
GFER P55789 1/20 0.51
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
LMNA P02545 1/20 0.50
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
FAAH O00519 2/20 0.46

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
SCHEMBL2171180 1.00 MAOA (0.61) MAOAMAOBAURKAMTORMEN1
SCHEMBL2171316 0.89 AURKA (0.51) MAOAMAOBAURKAMTORMEN1
SCHEMBL2171318 0.89 AURKA (0.51) MAOAMAOBAURKAMTORMEN1
SCHEMBL2172001 0.87 AURKA (0.55) MAOAMAOBAURKAMTORPRKAG1
SCHEMBL2171996 0.87 AURKA (0.55) MAOAMAOBAURKAMTORPRKAG1
SCHEMBL2172861 0.86 AURKA (0.54) AURKAMTORMEN1KMT2AMAPT
SCHEMBL2173471 0.86 CA9 (0.56) MAOBAURKAMTORMEN1KMT2A
SCHEMBL2172858 0.86 AURKA (0.54) AURKAMTORMEN1KMT2AMAPT
SCHEMBL2170994 0.86 AKR1B1 (0.57) AURKAMTORMEN1KMT2AMAPT
SCHEMBL15223581 0.86 AURKA (0.54) MAOAMAOBAURKAMTORPRKAG1

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 6 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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US 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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US 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 MAOA 2761/4885MAOB 2488/4885AURKA 1403/4885

“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.