SCHEMBL6338481

SCHEMBL6338481

CCC(Nc1ccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)cc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
RET P07949 3/20 0.40
HCRTR2 O43614 5/20 0.40
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR1 O43613 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6338475 1.00 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6331181 0.92 KMT2A (0.44) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6331062 0.90 KMT2A (0.46) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6331059 0.90 KMT2A (0.46) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6337820 0.89 KMT2A (0.48) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6337816 0.89 KMT2A (0.48) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6331526 0.88 KMT2A (0.47) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6331529 0.88 KMT2A (0.47) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6337047 0.87 MEN1 (0.39) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6337044 0.87 MEN1 (0.39) MEN1KMT2ANPC1ALDH1A1LMNA

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 MEN1 1645/4885KMT2A 1678/4885NPC1 4427/4885

“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.