SCHEMBL173569

SCHEMBL173569

O=[N+]([O-])c1cc(CBr)n(CCBr)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL25888929 0.90 ALDH1A1 (0.36) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL14926138 0.89 HTT (0.36) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL20400328 0.87 HTT (0.38) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL31497515 0.87 CYP1A2 (0.38) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL173687 0.87 HTT (0.38) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL28126266 0.86 CYP1A2 (0.38) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL28166589 0.80 HTT (0.37) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL611899 0.79 CHEK1 (0.36) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL25888930 0.78 MEN1 (0.37) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL14926070 0.77 LMNA (0.46) HTTCYP1A2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055019-B1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS INC (US) 2025-01-22 EP disclosed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
EP-3571187-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH INC (US) 2023-11-22 EP disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 CN disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 WO disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 WO disclosed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2011112995-A1 IMIDAZOPYRIDINES SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2011-09-15 WO disclosed
WO-2011112995-A1 IMIDAZOPYRIDINES SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2011-09-15 WO disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK HTT 4819/4885CYP1A2 1623/4885CYP2C19 382/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 HTT 554/4885CYP1A2 2089/4885CYP2C19 3145/4885
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885CYP1A2 1477/4885CYP2C19 1171/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 HTT 1446/4885CYP1A2 3742/4885CYP2C19 4026/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885CYP1A2 1477/4885CYP2C19 1171/4885

“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.