SCHEMBL4628525

SCHEMBL4628525

COc1ccc(C(=O)NC(=N)NCc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51
TUBB2A Q13885 3/20 0.51
TUBB8 Q3ZCM7 3/20 0.51
TUBA3E Q6PEY2 3/20 0.51
TUBA1A Q71U36 3/20 0.51
TUBA1C Q9BQE3 3/20 0.51
TUBB6 Q9BUF5 3/20 0.51
TUBB2B Q9BVA1 3/20 0.51
TUBB1 Q9H4B7 3/20 0.51
NPC1 O15118 4/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 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
SCHEMBL4629469 0.89 SMN1; SMN2 (0.52) ALDH1A1ALOX12NAMPTL3MBTL1LMNA
SCHEMBL4628790 0.82 NPC1 (0.72) NPC1CYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL4628756 0.81 TP53 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6848908 0.75 SMN1; SMN2 (0.66) ALDH1A1KMT2ANAMPTL3MBTL1LMNA
SCHEMBL4628536 0.75 MALT1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4629004 0.75 NPC1 (0.55) NPC1CYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL8224616 0.74 SMO (0.65) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9543614 0.74 MEN1 (0.67) CYP2C19ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4628473 0.74 MAPT (0.56) NPC1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8815134 0.73 KMT2A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 3228/4885TUBB 2626/4885TUBA3C 1614/4885

“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.