SCHEMBL2632890

SCHEMBL2632890

CCCN1CCc2cc(OC)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
DRD1 P21728 7/20 0.51
DRD5 P21918 7/20 0.51
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.51
DRD4 P21917 4/20 0.47
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL10815104 0.91 KMT2A (0.57) NOTUMDRD1DRD5DRD2DRD3
Ammonia Solution, Strong SCHEMBL906052 0.86 DRD1 (0.50) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL24109783 0.84 KDM4E (0.60) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL16494114 0.84 NOTUM (0.49) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL19149344 0.84 NOTUM (0.52) NOTUMDRD1DRD5DRD2DRD3
Hydrochloric Acid SCHEMBL19149286 0.82 NOTUM (0.51) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL19148690 0.80 MAPT (0.58) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL19173650 0.80 NOTUM (0.56) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL24169798 0.80 NOTUM (0.49) NOTUMDRD1DRD5DRD2DRD3
Hydrochloric Acid SCHEMBL19149077 0.79 MAPT (0.57) NOTUMDRD1DRD5DRD2DRD3

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-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885DRD1 3537/4885DRD5 2335/4885

“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.