SCHEMBL5258191

SCHEMBL5258191

COc1ccccc1C(c1c(C)[nH]c2ccccc12)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.54
PPARA Q07869 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
KDM1A O60341 1/20 0.43
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 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
SCHEMBL5256868 0.84 VDR (0.48) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL5261671 0.82 MAPT (0.59) VDRPPARAMEN1KMT2AMAPT
SCHEMBL10836045 0.80 VDR (0.56) VDRPPARAMEN1KMT2AMAPT
SCHEMBL5258148 0.78 VDR (0.56) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL27493058 0.76 VDR (0.57) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL5259560 0.76 VDR (0.47) VDRPPARAMEN1KMT2AMAPT
SCHEMBL5257153 0.75 VDR (0.57) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL30995727 0.72 CNR1 (0.77) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL5260961 0.71 KIF11 (0.47) VDRMEN1KMT2AMAPTKDM4E
SCHEMBL10413203 0.71 VDR (0.57) VDRMEN1KMT2AMAPTKDM4E

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 8 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
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
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
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

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 2170/4885PPARA 3912/4885MEN1 975/4885

“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.