SCHEMBL1614944

SCHEMBL1614944

CC1(CN2C(=O)S/C(=C\c3cc(Br)cc(Br)c3)C2=O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
MTOR P42345 1/20 0.50
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
PARP1 P09874 1/20 0.40
HPGD P15428 1/20 0.40
CISD1 Q9NZ45 2/20 0.38
ALDH1A1 P00352 2/20 0.38
COMT P21964 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
PPARG P37231 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2173145 0.88 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173141 0.88 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172739 0.87 AURKA (0.48) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172737 0.87 AURKA (0.48) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174274 0.84 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174270 0.84 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL12406355 0.83 AURKA (0.54) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171469 0.82 HSD17B3 (0.52) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171461 0.82 HSD17B3 (0.52) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172001 0.82 AURKA (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US claimed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 AURKA 1441/4885MTOR 251/4885PRKAG1 25/4885

“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.