SCHEMBL105169

SCHEMBL105169

CC(C)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 6/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
HPGD P15428 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.53
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
NFKB1 P19838 1/20 0.53
EPHX2 P34913 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
SMYD3 Q9H7B4 1/20 0.50
LMNA P02545 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL12591849 0.95 RAB9A (0.66) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL12089917 0.94 NPC1 (0.55) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL12089909 0.94 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL12089850 0.94 RAB9A (0.51) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL104273 0.93 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL104753 0.93 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL23589796 0.92 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL104429 0.92 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3454998 0.92 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL25647119 0.92 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-7501406-B2 Fluoro substituted 2-oxo-azepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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 (11 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 RAB9A 3030/4885SMN1; SMN2 4581/4885NPC1 1892/4885
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RAB9A 4270/4885SMN1; SMN2 2647/4885NPC1 3159/4885
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RAB9A 4270/4885SMN1; SMN2 2647/4885NPC1 3159/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 RAB9A 3671/4885SMN1; SMN2 716/4885NPC1 4098/4885
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 RAB9A 2570/4885SMN1; SMN2 1122/4885NPC1 4616/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RAB9A 4270/4885SMN1; SMN2 2647/4885NPC1 3159/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 RAB9A 2311/4885SMN1; SMN2 1817/4885NPC1 1274/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 RAB9A 3671/4885SMN1; SMN2 716/4885NPC1 4098/4885
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system BACE1, BACE2, BRCA1 RAB9A 1820/4885SMN1; SMN2 1991/4885NPC1 1827/4885
US-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 RAB9A 1952/4885SMN1; SMN2 3892/4885NPC1 1004/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RAB9A 4270/4885SMN1; SMN2 2647/4885NPC1 3159/4885

“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.