SCHEMBL176618

SCHEMBL176618

COC(=O)c1cc(N)cc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
XDH P47989 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATAD2 Q6PL18 1/20 0.47

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
SCHEMBL184614 0.86 NOTUM (0.67) NOTUMCA12CA1CA2CA7
SCHEMBL111187 0.86 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL654773 0.86 CA1 (0.58) CA12CA1CA2CA7CA9
Methyl 3,5-Dibromobenzoate SCHEMBL2408987 0.86 NOTUM (0.67) NOTUMCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL9494959 0.84 CA1 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL111186 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL16684548 0.82 NOTUM (0.48) NOTUMCA12CA1CA2CA7
SCHEMBL2725407 0.81 NPC1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL29944879 0.81 NPC1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL14783973 0.81 NOTUM (0.57) NOTUMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors ONCODESIGN S.A. (FR) 2026-05-19 US disclosed
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2026-05-07 US disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2025-05-29 US disclosed
CN-119552166-A PARP1/CDK6 double-target inhibitor and preparation method and application thereof 中国药科大学 2025-03-04 CN disclosed
CN-115698020-B Macrocyclic RIP 2-kinase inhibitors 昂科迪塞恩精密医药公司(OPM) 2025-02-25 CN disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION PRAZER THERAPEUTICS INC. (KR) 2024-12-26 US disclosed
US-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (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-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 NOTUM 628/4885CA12 3755/4885CA1 4718/4885
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 NOTUM 657/4885CA12 1383/4885CA1 1976/4885
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION ADRM1, SUMO1, SUMO2 NOTUM 2035/4885CA12 4281/4885CA1 4371/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 NOTUM 628/4885CA12 3755/4885CA1 4718/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 NOTUM 1414/4885CA12 3919/4885CA1 2419/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 NOTUM 657/4885CA12 1383/4885CA1 1976/4885
US-20260125396-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK1, RIPK2, RIPK4 NOTUM 4089/4885CA12 4037/4885CA1 3576/4885
US-12630563-B2 Macrocyclic RIP2-kinase inhibitors RIPK1, RIPK2, RIPK3 NOTUM 4651/4885CA12 4345/4885CA1 3386/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 NOTUM 4384/4885CA12 4753/4885CA1 4568/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP NOTUM 3014/4885CA12 4808/4885CA1 4853/4885
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 NOTUM 628/4885CA12 3755/4885CA1 4718/4885

“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.