SCHEMBL20495229

SCHEMBL20495229

COC(=O)c1cnc2ccccc2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ PKM P14618 2/20 0.50
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HTT P42858 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ PLIN1 O60240 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 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
SCHEMBL15445432 0.84 KMT2A (0.64) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL23564828 0.84 KDM4E (0.50) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL10465977 0.84 HTT (0.55) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL5514790 0.83 KDM4E (0.50) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL5777181 0.83 KDM4E (0.49) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL14472404 0.81 HTT (0.51) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL15445433 0.81 SMN1; SMN2 (0.50) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL25082365 0.81 ALDH1A1 (0.55) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL15184726 0.81 MMP1 (0.46) MEN1KMT2AKDM4EPKMMAPT
SCHEMBL20689 0.80 PDE4B (0.49) MEN1KMT2APKMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 — — US disclosed
US-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 — — US disclosed
US-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2020-12-10 — — US disclosed
US-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2020-12-10 — — US disclosed
WO-2018165385-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2018-09-13 — — WO 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-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF MALT1, BCL6, BCL3 MEN1 2523/4885KMT2A 2359/4885KDM4E 1844/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 MEN1 2523/4885KMT2A 2359/4885KDM4E 1844/4885

“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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