SCHEMBL5258148

SCHEMBL5258148

Cc1[nH]c2ccccc2c1C(c1ccccc1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.56
TP53 P04637 2/20 0.52
MAPT P10636 4/20 0.50
THRB P10828 1/20 0.48
KDM1A O60341 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.46
AHR P35869 1/20 0.46
NPC1 O15118 1/20 0.44
HTR6 P50406 1/20 0.43

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
SCHEMBL5257153 0.91 VDR (0.57) VDRTP53MAPTKDM1AMEN1
SCHEMBL5260961 0.86 KIF11 (0.47) VDRTP53MAPTKDM1AMEN1
SCHEMBL5258844 0.84 VDR (0.55) VDRTP53MAPTKDM1AMEN1
SCHEMBL5261826 0.84 VDR (0.46) VDRTP53MAPTTHRBKDM1A
SCHEMBL5262289 0.83 MEN1 (0.43) VDRTP53MAPTMEN1KMT2A
SCHEMBL27493058 0.82 VDR (0.57) VDRTP53MAPTMEN1KMT2A
SCHEMBL5256868 0.81 VDR (0.48) VDRTP53MAPTKDM1AMEN1
SCHEMBL5261784 0.81 SRC (0.43) VDRTP53MAPTTHRBMEN1
SCHEMBL5261671 0.80 MAPT (0.59) VDRMAPTMEN1KMT2AKDM4E
SCHEMBL25971947 0.80 TP53 (0.70) VDRTP53MAPTTHRBKDM1A

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 14 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
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN claimed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN claimed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP claimed
WO-2001047885-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 WO claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
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-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 VDR 2170/4885TP53 1876/4885MAPT 2635/4885

“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.