SCHEMBL28575641

SCHEMBL28575641

Cc1cc(F)ccc1Oc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
EPAS1 Q99814 2/20 0.41
VEGFA P15692 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
S1PR4 O95977 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28921225 0.79 MAPT (0.47) HSPB1LMNAPOLBMAPTL3MBTL1
SCHEMBL22190310 0.79 EPAS1 (0.40) EPAS1
SCHEMBL22203241 0.79 SLC6A4 (0.39)
SCHEMBL7091398 0.78 MAPT (0.47) HSPB1LMNAPOLBMAPTCCR6
SCHEMBL22203245 0.77 SCN8A (0.45)
SCHEMBL22203239 0.77 SCN8A (0.45)
SCHEMBL29435962 0.77 SCN8A (0.45)
SCHEMBL29435931 0.77 SCN8A (0.45)
SCHEMBL4475384 0.76 LMNA (0.44) LMNAMAPTHPGD
SCHEMBL15329644 0.76 LMNA (0.46) HSPB1LMNAPOLBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955436-B 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 福建盛迪医药有限公司 2023-08-11 CN disclosed
US-20220073471-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2022-03-10 US disclosed
CN-112955436-A 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-06-11 CN 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 (1 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-20220073471-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CACNA1D, CACNA1F, CACNA1B HSPB1 3261/4885LMNA 1886/4885POLB 3655/4885

“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.