SCHEMBL5261692

SCHEMBL5261692

CCn1c(-c2ccccc2)c(C(c2ccc(OC)c(OC)c2)N(C)C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.43
TP53 P04637 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL5259155 0.84 ALDH1A1 (0.50) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL5258093 0.81 ALDH1A1 (0.41) GRIK2ALDH1A1HPGDKDM4EPOLB
SCHEMBL5259426 0.79 ALDH1A1 (0.43) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL9659512 0.74 ALDH1A1 (0.47) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL5261087 0.71 SRC (0.50) TP53POLBMEN1KMT2ATDP1
SCHEMBL10666862 0.71 TP53 (0.60) TP53ALDH1A1HPGDKDM4EPOLB
SCHEMBL5258940 0.71 ALDH1A1 (0.42) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL10663044 0.70 GRIK2 (0.55) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL5260185 0.69 BCL2L11 (0.43) GRIK2TP53ALDH1A1HPGDKDM4E
SCHEMBL5261671 0.67 MAPT (0.59) ALDH1A1HPGDKDM4EPOLBMEN1

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 10 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
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN 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-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 GRIK2 1952/4885TP53 1876/4885ALDH1A1 667/4885

“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.