SCHEMBL2401326

SCHEMBL2401326

O=C(NCCc1ccc(F)cc1)C1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SCN9A Q15858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2399340 0.90 TRPV1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL6409609 0.87 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2401367 0.83 TSHR (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL2402458 0.83 PKM (0.53) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2400977 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6410522 0.81 MEN1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2399263 0.80 EPHX2 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL2400081 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL2405020 0.80 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2403234 0.79 TRPV1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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
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 claimed
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 ALDH1A1 156/4885SMN1; SMN2 1407/4885MEN1 2995/4885

“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.