SCHEMBL3605230

SCHEMBL3605230

CC(C)(C)c1ccc(O)c(N=Cc2cc(/N=N/c3ccc(Cl)cc3)ccc2O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
ALDH1A1 P00352 8/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
GAA P10253 5/20 0.62
KDM4E B2RXH2 5/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.46
HTT P42858 3/20 0.45
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MCL1 Q07820 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL18744894 0.87 MAPT (0.71) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL16080720 0.84 ALDH1A1 (0.67) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL18744893 0.79 MEN1 (0.59) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL16080711 0.78 MAPT (0.74) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL16080712 0.78 MAPT (0.57) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL16080724 0.76 MAPT (0.55) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL12416873 0.76 MAPT (0.57) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL18743974 0.75 MAPT (0.61) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL25044676 0.74 ALDH1A1 (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL12657762 0.73 MAPT (0.66) MAPTALDH1A1KMT2AMEN1GAA

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
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP MAPT 1041/4885ALDH1A1 3764/4885KMT2A 2830/4885

“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.