SCHEMBL20291306

SCHEMBL20291306

CC(=O)N1CCc2ccc(NC(=O)c3ccc(I)cc3OCc3ccccc3)cc2CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 12/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL20290829 0.89 NPC1 (0.47) METMEN1KMT2AGAASGMS2
SCHEMBL20291308 0.85 MET (0.53) METMEN1KMT2AGAASGMS2
SCHEMBL20290495 0.83 MELK (0.58) METMEN1KMT2AKDM4EMAPT
SCHEMBL20291307 0.78 LRRK2 (0.45) METMEN1KMT2AKDM4EMAPT
SCHEMBL16624239 0.74 MAOB (0.61) MEN1KMT2AMAPTSGMS2
SCHEMBL1318328 0.70 FFAR4 (0.54) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL1316057 0.69 MCL1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20290848 0.69 MELK (0.51) METMEN1KMT2AGAASGMS2
SCHEMBL20291125 0.69 MELK (0.73) METGAASGMS2
SCHEMBL4481551 0.69 MEN1 (0.67) MEN1KMT2AKDM4EMAPTGAA

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-10875844-B2 Salicylate inhibitors of MELK and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-29 — — US disclosed
US-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2018-06-21 — — 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 (2 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-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE MELK, HIPK3, MINK1 MET 615/4885MEN1 1213/4885KMT2A 878/4885
US-10875844-B2 Salicylate inhibitors of MELK and methods of use MELK, HIPK3, MINK1 MET 615/4885MEN1 1213/4885KMT2A 878/4885

“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.

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