SCHEMBL8244253

SCHEMBL8244253

CC(C)Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.46
RORC P51449 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL5018756 0.98 ALDH1A1 (0.48) CHKARORCALDH1A1MEN1NPC1
SCHEMBL12298577 0.86 ALDH1A1 (0.52) RORCALDH1A1MEN1NPC1RAB9A
SCHEMBL12298581 0.85 ADRB1 (0.50) MEN1KMT2ANCF1
SCHEMBL102286 0.85 ALDH1A1 (0.58) RORCALDH1A1MEN1NPC1RAB9A
SCHEMBL102674 0.85 CHKA (0.56) CHKARORCALDH1A1KMT2AL3MBTL1
SCHEMBL12298575 0.83 ADRB1 (0.56) ALDH1A1KDM4ENCF1
SCHEMBL4576078 0.83 ALDH1A1 (0.61) ALDH1A1MAPTKDM4E
SCHEMBL22242851 0.81 CHKA (0.47) CHKARORCALDH1A1L3MBTL1MAPT
SCHEMBL22849709 0.80 ALDH1A1 (0.43) RORCALDH1A1L3MBTL1USP2TP53
SCHEMBL24490056 0.79 CHKA (0.49) CHKARORCALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-05-04 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 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 (6 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 CHKA 2139/4885RORC 151/4885ALDH1A1 3760/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 CHKA 2211/4885RORC 4616/4885ALDH1A1 1197/4885
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 CHKA 1470/4885RORC 1648/4885ALDH1A1 879/4885
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF TOP1, DNA2, TOP2A CHKA 2606/4885RORC 3194/4885ALDH1A1 4377/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 CHKA 3402/4885RORC 4876/4885ALDH1A1 3877/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 CHKA 2130/4885RORC 151/4885ALDH1A1 3767/4885

“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.