SCHEMBL6329682

SCHEMBL6329682

CCC(Nc1ccc(CNCc2ccccc2)cc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
BRD4 O60885 2/20 0.39
BRD2 P25440 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
KDM4E B2RXH2 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL6329674 1.00 RET (0.48) RETMEN1KMT2AATMBRD4
SCHEMBL6338483 0.92 RET (0.42) RETMEN1KMT2AATMBRD4
SCHEMBL6338488 0.92 RET (0.42) RETMEN1KMT2AATMBRD4
SCHEMBL6779288 0.91 RET (0.49) RETMEN1KMT2ARAB9AMAPT
SCHEMBL6340169 0.91 RET (0.49) RETMEN1KMT2ARAB9AMAPT
SCHEMBL6330739 0.90 RET (0.43) RETMEN1KMT2AATMBRD4
SCHEMBL7480959 0.90 RET (0.43) RETMEN1KMT2AATMBRD4
SCHEMBL6330730 0.90 RET (0.43) RETMEN1KMT2AATMBRD4
SCHEMBL6333341 0.90 RET (0.54) RETBRD4BRD2KDM4EGPR55
SCHEMBL6333335 0.90 RET (0.54) RETBRD4BRD2KDM4EGPR55

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 RET 154/4885MEN1 1645/4885KMT2A 1678/4885

“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.