SCHEMBL7651505

SCHEMBL7651505

O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[CH]CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.78
ALDH1A1 P00352 3/20 0.76
KMT2A Q03164 7/20 0.69
MEN1 O00255 5/20 0.69
MAPT P10636 1/20 0.67
POLB P06746 1/20 0.62
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
EPHX2 P34913 1/20 0.55
ACHE P22303 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
TNFSF11 O14788 1/20 0.52

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
SCHEMBL25754709 0.88 LMNA (1.00) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL2651807 0.87 ALDH1A1 (1.00) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL448170 0.84 LMNA (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4982309 0.84 MEN1 (0.90) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL17007457 0.84 LMNA (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL30976592 0.84 LMNA (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL29478515 0.84 LMNA (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL28509270 0.84 LMNA (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4066015 0.82 LMNA (0.73) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL23271159 0.82 LMNA (0.72) LMNAALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US claimed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 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-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A LMNA 3467/4885ALDH1A1 2592/4885KMT2A 3243/4885

“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.