SCHEMBL6329048

SCHEMBL6329048

CC/C(Nc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1)=C1/C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.43
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6329056 1.00 HTT (0.44) HTTGAAMEN1KMT2AMCL1
SCHEMBL6331526 0.91 KMT2A (0.47) HTTGAAMEN1KMT2AMCL1
SCHEMBL6331529 0.91 KMT2A (0.47) HTTGAAMEN1KMT2AMCL1
SCHEMBL6337816 0.89 KMT2A (0.48) HTTGAAMEN1KMT2AMCL1
SCHEMBL6337820 0.89 KMT2A (0.48) HTTGAAMEN1KMT2AMCL1
SCHEMBL6337047 0.89 MEN1 (0.39) HTTGAAMEN1KMT2ATSHR
SCHEMBL6337044 0.89 MEN1 (0.39) HTTGAAMEN1KMT2ATSHR
SCHEMBL5788212 0.87 HTT (0.47) HTTGAAMEN1KMT2AMCL1
SCHEMBL5788216 0.87 HTT (0.47) HTTGAAMEN1KMT2AMCL1
SCHEMBL6331181 0.87 KMT2A (0.44) HTTGAAMEN1KMT2ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI HTT 4518/4885GAA 4382/4885MEN1 1645/4885

“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.