SCHEMBL5813044

SCHEMBL5813044

CC(C)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
DHODH Q02127 1/20 0.42
F10 P00742 5/20 0.41
NOTUM Q6P988 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYR P14679 1/20 0.38

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
SCHEMBL25016644 0.80 HDAC4 (0.43) NOTUMTDP1KDM4EALDH1A1HPGD
SCHEMBL4212713 0.78 F10 (0.56) L3MBTL1F10MEN1KMT2AALDH1A1
SCHEMBL76912 0.78 SMN1; SMN2 (0.52) F10KDM4EALDH1A1CYP1A2HPGD
SCHEMBL92819 0.78 KDM4E (0.57) MGLLRECQLF10TDP1KDM4E
SCHEMBL889379 0.77 MGLL (0.48) MGLLL3MBTL1LMNAPOLBRECQL
SCHEMBL143175 0.77 ALDH1A1 (0.54) MGLLF10NOTUMMEN1KMT2A
SCHEMBL21317456 0.76 CA12 (0.38) DHODHF10ALDH1A1CYP1A2
SCHEMBL10059763 0.76 ALDH1A1 (0.59) MGLLLMNAPOLBRECQLALKBH5
SCHEMBL2645575 0.75 DDB1 (0.41) F10MEN1KMT2AKDM4EALDH1A1
SCHEMBL10140954 0.74 LMNA (0.47) MGLLL3MBTL1LMNAPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134932-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-04 US disclosed
US-20230134932-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-04 US disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
WO-2006036949-A2 PREPARATION OF N-ARYL PYRIDONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-06 WO disclosed
US-20060069260-A1 Preparation of N-aryl pyridones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 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 (5 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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MGLL 883/4885L3MBTL1 1695/4885LMNA 678/4885
US-20230134932-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 MGLL 4568/4885L3MBTL1 420/4885LMNA 2647/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI MGLL 2096/4885L3MBTL1 4707/4885LMNA 1057/4885
US-20060069260-A1 Preparation of N-aryl pyridones PNPO, PDXK, PLPBP MGLL 4694/4885L3MBTL1 4215/4885LMNA 857/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MGLL 883/4885L3MBTL1 1695/4885LMNA 678/4885

“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.