SCHEMBL2401756

SCHEMBL2401756

O=[N+]([O-])c1c(Cl)ncc(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PTGER4 P35408 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CUL4A Q13619 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL30648722 0.81 TSHR (0.38) TSHRPTGER4MAPTALDH1A1PMM2
SCHEMBL208151 0.81 HTT (0.40) TSHRPTGER4MAPTALDH1A1KDM4E
SCHEMBL12269691 0.81 MAPT (0.39) TSHRMAPTALDH1A1CA1CA2
SCHEMBL16475139 0.81 TSHR (0.38) TSHRPTGER4MAPTALDH1A1PMM2
SCHEMBL1366985 0.81 GRIN2D (0.40) TSHRMAPTALDH1A1CA1CA2
SCHEMBL2401652 0.81 CA1 (0.38) TSHRMAPTALDH1A1CA1CA2
SCHEMBL31539724 0.80 TSHR (0.54) TSHRMAPTALDH1A1CA1CA2
SCHEMBL28708618 0.79 CA1 (0.39) TSHRMAPTALDH1A1CA1CA2
SCHEMBL31683208 0.79 GRIN2D (0.42) TSHRMAPTALDH1A1CA1CA2
SCHEMBL24838570 0.78 PTGER4 (0.37) TSHRPTGER4MAPTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619407-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 Curadev Pharma Ltd (GB) 2025-09-24 EP disclosed
US-20250282794-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2025-09-11 US disclosed
WO-2025087291-A1 IRAK4 TARGETED DEGRADATION AGENT COMPOUND, AND USE THEREOF 江苏先声药业有限公司 2025-05-01 WO disclosed
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 (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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 TSHR 4018/4885PTGER4 1052/4885MAPT 4377/4885
US-20250282794-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 PDXK, PGK1, CMPK1 TSHR 4452/4885PTGER4 1903/4885MAPT 4306/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 TSHR 4018/4885PTGER4 1052/4885MAPT 4377/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR TSHR 4725/4885PTGER4 4694/4885MAPT 1950/4885
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 121/4885PTGER4 486/4885MAPT 2882/4885

“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.