SCHEMBL6329408

SCHEMBL6329408

CC/C(Nc1cccc(CN(C)C)c1)=C1/C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
RET P07949 3/20 0.41
ALOX5 P09917 1/20 0.39
BACE1 P56817 1/20 0.39
ROCK2 O75116 3/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.38
ROCK1 Q13464 1/20 0.37
CYP2C19 P33261 2/20 0.37
FGFR3 P22607 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
BCHE P06276 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL6329417 1.00 ACHE (0.41) ACHERETALOX5BACE1ROCK2
SCHEMBL6337188 0.89 ROCK2 (0.43) ACHERETROCK2CYP3A4KMT2A
SCHEMBL6337196 0.89 ROCK2 (0.43) ACHERETROCK2CYP3A4KMT2A
SCHEMBL5786311 0.85 RET (0.43) ACHERETALOX5BACE1ROCK2
SCHEMBL5786320 0.85 RET (0.43) ACHERETALOX5BACE1ROCK2
SCHEMBL6333341 0.84 RET (0.54) RETEGFR
SCHEMBL6333335 0.84 RET (0.54) RETEGFR
SCHEMBL6336801 0.83 ACHE (0.52) ACHERETALOX5BACE1BCHE
SCHEMBL6336805 0.83 ACHE (0.52) ACHERETALOX5BACE1BCHE
SCHEMBL6340154 0.82 ACHE (0.48) ACHERETBACE1HTTBCHE

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 ACHE 3681/4885RET 154/4885ALOX5 3565/4885

“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.