SCHEMBL7740500

SCHEMBL7740500

CNCc1cc(S(N)(=O)=O)ccc1Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A3 Q01959 5/20 0.44
KCNH2 Q12809 3/20 0.43
HTR2A P28223 2/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 2/20 0.43
NQO2 P16083 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SCN9A Q15858 1/20 0.40
ESRRA P11474 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
SCHEMBL7741836 0.84 SLC6A4 (0.56) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL7970315 0.74 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL7065184 0.73 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL7735932 0.73 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL15080486 0.72 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL7741889 0.71 SLC6A4 (0.57) SLC6A4KCNH2HTR2A
SCHEMBL8365604 0.69 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL3361902 0.69 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL6152231 0.69 SLC6A4 (0.57) SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL7741453 0.68 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2HTR2A

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KMT2A 1108/4885MEN1 3638/4885SLC6A4 34/4885

“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.