SCHEMBL7652256

SCHEMBL7652256

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
POLB P06746 1/20 0.72
LMNA P02545 1/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.52
EPHX2 P34913 1/20 0.51
AKR1C3 P42330 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 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
SCHEMBL8179640 0.93 MEN1 (0.67) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL7647926 0.89 KMT2A (0.55) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL7648688 0.82 KMT2A (0.50) MEN1KMT2APOLBAKR1C3SMN1; SMN2
SCHEMBL8187563 0.82 SMN1; SMN2 (0.54) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL24221019 0.80 LMNA (0.63) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7646320 0.78 MEN1 (0.67) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL23271159 0.77 LMNA (0.72) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL853015 0.77 LMNA (0.72) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL17007431 0.77 LMNA (0.58) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL7651531 0.76 GAA (0.51) MEN1KMT2ALMNAALDH1A1AKR1C3

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 5 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
WO-2000000472-A1 5-HT7 RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO 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 MEN1 1132/4885KMT2A 3243/4885POLB 3434/4885

“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.