SCHEMBL2400765

SCHEMBL2400765

O=C(NCc1cccs1)C1=NOC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.51
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 6/20 0.46
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.43
CTDSP1 Q9GZU7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
F2 P00734 1/20 0.42
USP2 O75604 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 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
SCHEMBL2400969 0.89 ALDH1A1 (0.58) THRBLMNASMN1; SMN2TP53KMT2A
SCHEMBL6410088 0.86 KMT2A (0.44) THRBLMNASMN1; SMN2TP53HPGD
SCHEMBL2400331 0.82 KDM4E (0.54) LMNASMN1; SMN2TP53POLBALDH1A1
SCHEMBL6409406 0.80 ALDH1A1 (0.46) LMNASMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL2585376 0.78 ALDH1A1 (0.56) LMNASMN1; SMN2TP53KMT2APOLB
SCHEMBL2401811 0.76 MAPT (0.50) LMNASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL2402651 0.75 HPGD (0.43) LMNASMN1; SMN2TP53HPGDALDH1A1
SCHEMBL6409896 0.75 ALDH1A1 (0.56) LMNASMN1; SMN2TP53KMT2APOLB
SCHEMBL2399280 0.74 GPR183 (0.42) KMT2AALDH1A1PKMMEN1
SCHEMBL2401315 0.74 NAMPT (0.52) LMNATP53KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 THRB 694/4885LMNA 1973/4885SMN1; SMN2 1407/4885

“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.