SCHEMBL5261671

SCHEMBL5261671

COc1ccc(C(c2c(C)[nH]c3ccccc23)N(C)C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
VDR P11473 12/20 0.56
PPARA Q07869 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL27493058 0.82 VDR (0.57) MAPTVDRALDH1A1SMN1; SMN2KDM4E
SCHEMBL10835901 0.82 MAPT (0.61) MAPTVDRPPARAALDH1A1GAA
SCHEMBL5258191 0.82 VDR (0.54) MAPTVDRPPARAALDH1A1GAA
SCHEMBL5261524 0.82 TUBB4A (0.47) MAPTVDRGAAPOLBMEN1
SCHEMBL5259169 0.82 CCNB2 (0.52) MAPTVDRPPARAGAAPOLB
SCHEMBL5257153 0.80 VDR (0.57) MAPTVDRALDH1A1GAAKDM4E
SCHEMBL5258148 0.80 VDR (0.56) MAPTVDRALDH1A1GAAKDM4E
SCHEMBL5263267 0.78 TLR7 (0.41) MAPTVDRPPARAGAAPOLB
SCHEMBL5261826 0.77 VDR (0.46) MAPTVDRMEN1KMT2A
SCHEMBL5260961 0.75 KIF11 (0.47) MAPTVDRALDH1A1GAAKDM4E

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-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN disclosed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US disclosed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP disclosed
WO-2001047882-A2 SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS Grünenthal GmbH (DE) 2001-07-05 WO disclosed
WO-2001047885-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 MAPT 2635/4885VDR 2170/4885PPARA 3912/4885

“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.