SCHEMBL25820980

SCHEMBL25820980

CC(C)(C)OC(=O)Nc1ccc(OCc2cc([N+](=O)[O-])ccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
GAA P10253 3/20 0.49
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
ADAMTS4 O75173 1/20 0.44
ALOX5 P09917 1/20 0.43
HTT P42858 3/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GNRHR P30968 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL25821008 0.82 MMP1 (0.44) MAPTGAAMMP1MMP2MMP9
SCHEMBL2942771 0.80 MAOB (0.56) MAPTMEN1KMT2A
SCHEMBL1532248 0.78 KMT2A (0.59) MAPTGAAMMP1MMP2MMP9
SCHEMBL25820979 0.77 ALDH1A1 (0.41) MAPTGAAMMP1MMP2MMP9
SCHEMBL5383005 0.76 ALDH1A1 (0.63) MAPTGAAMEN1KMT2APOLB
SCHEMBL30116065 0.76 ALDH1A1 (0.63) MAPTGAAMEN1KMT2APOLB
SCHEMBL18041307 0.76 NQO2 (0.48) MAPTGAAALDH1A1ALOX5HTT
SCHEMBL31156794 0.76 NQO2 (0.48) MAPTGAAALDH1A1ALOX5HTT
SCHEMBL17827840 0.74 ALDH1A1 (0.47) MAPTGAAKMT2APOLBALDH1A1
SCHEMBL30369831 0.74 MAPT (0.53) MAPTGAAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US 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-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 MAPT 2815/4885GAA 3356/4885MMP1 2264/4885

“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.