SCHEMBL3138236

SCHEMBL3138236

CCN(CC)c1cccc(ON(c2ccccc2)S(=O)(=O)c2ccc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
CA1 P00915 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3139317 0.91 CA1 (0.49) DRD4CA1CA12CA9CA2
SCHEMBL3153306 0.86 DRD2 (0.48) DRD4CA1CA2CA7
SCHEMBL3153743 0.85 HTR1A (0.48) CA1CA2CA7KDM4EHTT
SCHEMBL3149616 0.85 DRD2 (0.47) DRD4CA1CA12CA9CA2
SCHEMBL3145201 0.85 EPHX2 (0.47) DRD4CA1CA12CA9CA2
SCHEMBL3149086 0.84 CA12 (0.49) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL3138194 0.83 DRD4 (0.46) DRD4SMN1; SMN2KDM4E
SCHEMBL3139557 0.82 DRD4 (0.48) DRD4
SCHEMBL3138062 0.81 PLD2 (0.44) DRD4CA1CA2CA7KDM4E
SCHEMBL3155096 0.81 DRD2 (0.45) DRD4CA1CA2CA7

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
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 DRD4 820/4885CA1 1474/4885CA12 2341/4885

“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.