SCHEMBL1996335

SCHEMBL1996335

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2cccc(Br)c2)n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.72
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1992706 0.90 GHSR (0.72) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1989790 0.90 GHSR (0.72) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1992391 0.90 GHSR (0.72) GHSRALDH1A1HPGDHTTHDAC3
SCHEMBL1991593 0.89 GHSR (0.70) GHSRMAPTALDH1A1HPGDMEN1
SCHEMBL1993074 0.88 GHSR (0.69) GHSRALDH1A1MEN1TSHRKMT2A
SCHEMBL1993917 0.85 GHSR (0.71) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1981207 0.85 GHSR (0.81) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1994335 0.85 GHSR (0.81) GHSRMEN1KMT2AHDAC3HDAC4
SCHEMBL1993722 0.85 GHSR (0.81) GHSRMAPTALDH1A1KMT2AHDAC3
SCHEMBL1981210 0.85 GHSR (0.81) GHSRHDAC3HDAC4HDAC1HDAC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF SAUNDERS JEFFREY O 2011-06-23 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-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF GHSR, GHRHR, SSTR2 GHSR 1/4885MAPT 4236/4885SMN1; SMN2 1606/4885

“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.