SCHEMBL21179113

SCHEMBL21179113

COc1ccc(COc2cc(Br)cc(F)c2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.54
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
PTGES O14684 1/20 0.40
MAOB P27338 1/20 0.40
CCR5 P51681 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL29373054 0.85 KDM1A (0.52) CYP19A1MAPTPTGES
SCHEMBL22412563 0.85 KDM1A (0.52) CYP19A1MAPTPTGES
SCHEMBL3873841 0.81 CYP19A1 (0.51) CYP19A1TLR4TLR2NPC1RAB9A
SCHEMBL30449234 0.81 CYP19A1 (0.51) CYP19A1TLR4TLR2NPC1RAB9A
SCHEMBL189978 0.80 MAOB (0.47) NPC1RAB9AMAOBCCR5HDAC8
SCHEMBL29782725 0.80 CYP19A1 (0.48) CYP19A1TLR4TLR2NPC1MAPT
SCHEMBL17699810 0.80 CYP19A1 (0.48) CYP19A1TLR4TLR2NPC1MAPT
SCHEMBL28484783 0.80 CYP19A1 (0.44) CYP19A1TLR4TLR2NPC1MAPT
SCHEMBL21178899 0.79 CYP19A1 (0.52) CYP19A1TLR4TLR2NPC1RAB9A
SCHEMBL30816726 0.79 CYP19A1 (0.52) CYP19A1TLR4TLR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-08 US disclosed
EP-4638445-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-10-29 EP disclosed
EP-4615839-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
CN-120152973-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2025-06-13 CN disclosed
US-12269804-B2 Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-08 US disclosed
US-20240238258-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-18 US disclosed
US-20240238258-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-18 US disclosed
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-11 US disclosed
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-11 US disclosed
WO-2024137727-A1 1,2,4-THIAZOLIDIN-3-ONE-1,1-DIOXIDE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-27 WO disclosed
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-06 US disclosed
WO-2024102794-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO disclosed
CN-111770921-B Quinoxalinone compounds, compositions, methods and kits for improving genome editing efficiency 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
EP-3740483-B1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMA (US) 2023-01-11 EP disclosed
EP-3740483-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
US-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMACEUTICALS INCORPORATED 2020-11-19 US disclosed
CN-111770921-A Quinoxalinone compounds, compositions, methods and kits for improving efficiency of genome editing 沃泰克斯药物股份有限公司 2020-10-13 CN disclosed
WO-2019143677-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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-20200361877-A1 QUINOXALINONE COMPOUNDS, COMPOSITIONS, METHODS, AND KITS FOR INCREASING GENOME EDITING EFFICIENCY XRCC6, LIG1, DCK CYP19A1 2644/4885TLR4 4016/4885TLR2 4179/4885
US-12269804-B2 Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency XRCC6, LIG1, DCK CYP19A1 2644/4885TLR4 4016/4885TLR2 4179/4885
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 CYP19A1 2272/4885TLR4 4235/4885TLR2 3700/4885
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPRO, PTPRC, PTPRR CYP19A1 2484/4885TLR4 3495/4885TLR2 4302/4885
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 CYP19A1 2272/4885TLR4 4235/4885TLR2 3700/4885
US-20240238258-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 CYP19A1 2272/4885TLR4 4235/4885TLR2 3700/4885

“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.