SCHEMBL7653407

SCHEMBL7653407

C[CH]CS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
CA2 P00918 2/20 0.57
CA5A P35218 1/20 0.57
MEN1 O00255 3/20 0.55
CYP19A1 P11511 1/20 0.54
CA1 P00915 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MAPT P10636 2/20 0.49
LMNA P02545 3/20 0.49
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL2876686 0.83 KMT2A (0.68) KMT2AGAAHTTCA2CA5A
SCHEMBL27950143 0.82 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL7648143 0.82 CA1 (0.50) KMT2ACA2CA5AMEN1CYP19A1
Potassium Ion SCHEMBL3924936 0.81 KMT2A (0.64) KMT2AGAAHTTCA2CA5A
SCHEMBL681532 0.79 KMT2A (0.62) KMT2AGAAHTTCA2CA5A
SCHEMBL2877775 0.79 KMT2A (0.57) KMT2AGAAHTTCA2CA5A
SCHEMBL11754726 0.79 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL14515514 0.79 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL4161667 0.77 KMT2A (0.58) KMT2AGAAHTTCA2CA5A
SCHEMBL5899427 0.76 KMT2A (0.72) KMT2AGAAHTTCA2CA5A

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-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

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 KMT2A 3243/4885GAA 2837/4885HTT 329/4885

“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.