SCHEMBL3221901

SCHEMBL3221901

CC(C)(C)C(=O)Nc1cc(N)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
ALOX12 P18054 1/20 0.44
PDK1 Q15118 3/20 0.43
PDK2 Q15119 3/20 0.43
PDK3 Q15120 3/20 0.43
PDK4 Q16654 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CETP P11597 1/20 0.42
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2088279 0.85 PDK1 (0.41) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL4968264 0.83 HDAC1 (0.58) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL14254883 0.83 HTT (0.55) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL15667865 0.81 PDK1 (0.47) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL15946914 0.81 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL34473349 0.81 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1GAATHRB
SCHEMBL29664617 0.81 NPC1 (0.50) ALDH1A1KDM4ERAB9AHDAC3HDAC1
SCHEMBL3785537 0.81 NPC1 (0.50) ALDH1A1KDM4ERAB9AHDAC3HDAC1
SCHEMBL2231205 0.80 CYP17A1 (0.44) GAARAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL2860521 0.79 MAPT (0.42) ALDH1A1GAATHRBKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885HTT 2974/4885L3MBTL1 2461/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885HTT 3087/4885L3MBTL1 3463/4885

“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.