SCHEMBL20225770

SCHEMBL20225770

O=C(c1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ ALDH1A1 P00352 9/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ L3MBTL3 Q96JM7 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL16982335 0.89 L3MBTL1 (0.51) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL1784262 0.83 ALDH1A1 (0.59) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL15507195 0.82 PDK2 (0.43) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL17747815 0.82 SMN1; SMN2 (0.61) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL10240070 0.81 SMN1; SMN2 (0.63) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL15754646 0.80 HPGD (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16974724 0.80 CASP6 (0.63) LMNA
SCHEMBL31003858 0.80 CASP6 (0.63) LMNA
SCHEMBL20073407 0.79 HPGD (0.47) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL3373208 0.79 HTT (0.60) MEN1KMT2AHTTSMN1; SMN2LMNA

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-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — 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-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MEN1 2491/4885KMT2A 206/4885HTT 1087/4885

“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.

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