SCHEMBL13489804

SCHEMBL13489804

CNc1cccc(NC(=O)CN(C)CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LTA4H P09960 3/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 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
SCHEMBL13490090 0.87 MEN1 (0.68) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3207805 0.86 HDAC3 (0.53) GAAMAPTALDH1A1ALOX15MEN1
SCHEMBL13489789 0.84 KMT2A (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3207597 0.82 ALDH1A1 (0.69) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL14621608 0.81 KMT2A (0.51) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL13489994 0.81 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL19675985 0.79 POLB (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13490046 0.79 ALDH1A1 (0.51) GAAMAPTALDH1A1ALOX15MEN1
SCHEMBL14622162 0.79 GLA (0.48) GAAALDH1A1KMT2ALTA4HKDM4E
SCHEMBL13489787 0.74 KMT2A (0.46) GAAMAPTALDH1A1MEN1KMT2A

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 1 patent. 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

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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 GAA 815/4885MAPT 705/4885ALDH1A1 1600/4885

“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.