SCHEMBL5261017

SCHEMBL5261017

CN(C)C(c1ccc(Cl)cc1Cl)c1cn(C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.57
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GSK3B P49841 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
GSK3A P49840 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.44
RGS12 O14924 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
CCNB2 O95067 1/20 0.44
CYP1A2 P05177 1/20 0.44
CDK1 P06493 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL5259179 0.82 SRC (0.57) SRCMEN1KMT2AGSK3BLMNA
SCHEMBL5256981 0.80 SRC (0.52) SRCMEN1KMT2AGSK3BLMNA
SCHEMBL5257571 0.76 SRC (0.54) SRCMEN1KMT2ALMNAHTT
SCHEMBL5261442 0.76 SRC (0.64) SRCMEN1KMT2ALMNAHTT
SCHEMBL5258012 0.75 SRC (0.50) SRCMEN1KMT2ALMNAHTT
SCHEMBL5257423 0.74 SRC (0.46) SRCMEN1KMT2ALMNAHTT
SCHEMBL5259379 0.74 SRC (0.49) SRCMEN1KMT2AGSK3BLMNA
SCHEMBL5257567 0.71 SRC (0.49) SRCMEN1KMT2ALMNAHTT
SCHEMBL5259370 0.69 SRC (0.56) SRCMEN1KMT2ALMNAHTT
SCHEMBL5261087 0.69 SRC (0.50) SRCMEN1KMT2AGSK3BLMNA

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
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US 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
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 SRC 1551/4885MEN1 975/4885KMT2A 2274/4885

“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.