SCHEMBL4628741

SCHEMBL4628741

CCOc1ccc(C(=O)NC(=N)Nc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
NPC1 O15118 5/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.59
TP53 P04637 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 6/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 6/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 2/20 0.53
MCL1 Q07820 1/20 0.53
PLK1 P53350 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 4/20 0.51
HTT P42858 1/20 0.51
XDH P47989 2/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL4628500 0.91 LMNA (0.56) ALDH1A1NPC1KDM4ETP53RAB9A
SCHEMBL4628517 0.86 SCN5A (0.57) ALDH1A1NPC1KDM4ETP53RAB9A
SCHEMBL4629387 0.86 NPC1 (0.61) ALDH1A1NPC1KDM4ECYP1A2TP53
SCHEMBL4628765 0.85 KMT2A (0.61) ALDH1A1NPC1KDM4ETP53RAB9A
SCHEMBL4628567 0.77 KMT2A (0.53) ALDH1A1NPC1KDM4ECYP1A2RAB9A
SCHEMBL17066699 0.77 ALDH1A1 (0.71) ALDH1A1NPC1KMT2ALMNAMAPT
SCHEMBL4628473 0.76 MAPT (0.56) ALDH1A1NPC1KDM4ECYP1A2TP53
SCHEMBL4627489 0.76 ABCB1 (0.55) ALDH1A1KDM4ETP53SMN1; SMN2KMT2A
SCHEMBL8770633 0.76 NPC1 (0.80) ALDH1A1NPC1KDM4ECYP1A2TP53
SCHEMBL4984760 0.75 GLA (0.49) KDM4ESMN1; SMN2LMNAMAPTHSD17B10

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-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA ALDH1A1 858/4885NPC1 140/4885KDM4E 3300/4885

“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.