SCHEMBL4627489

SCHEMBL4627489

COc1cc(C(=O)NC(=N)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MCL1 Q07820 2/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMO Q99835 1/20 0.47

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
SCHEMBL4629387 0.84 NPC1 (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11911362 0.82 SMO (0.60) ABCB1MAPTALDH1A1LMNAMEN1
SCHEMBL8224334 0.81 SMO (0.66) ABCB1MAPTALDH1A1LMNAMEN1
SCHEMBL4628765 0.80 KMT2A (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8224616 0.80 SMO (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL4628517 0.79 SCN5A (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4628756 0.79 TP53 (0.56) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9190681 0.78 ABCB1 (0.76) ABCB1MAPTALDH1A1LMNAMEN1
SCHEMBL8221136 0.77 SMO (0.78) ABCB1MAPTALDH1A1LMNAMEN1
SCHEMBL12964612 0.77 SMO (0.61) ABCB1MAPTALDH1A1LMNAMEN1

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 9 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA ABCB1 1246/4885MAPT 705/4885ALDH1A1 858/4885

“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.