SCHEMBL4278396

SCHEMBL4278396

CCC(C(=O)NC)C1(c2ccccc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.44
MMP1 P03956 2/20 0.43
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3533238 0.82 HDAC4 (0.43) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL4288043 0.76 MMP1 (0.45) MMP1SMN1; SMN2MMP2MMP3MEN1
SCHEMBL8234087 0.73 SLC6A4 (0.46) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL6669439 0.73 HDAC4 (0.49) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL28273316 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL873930 0.71 HDAC4 (0.41) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL6671640 0.71 HDAC4 (0.47) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL16986558 0.70 HDAC4 (0.40) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL28776197 0.70 SLC6A4 (0.50) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL290573 0.70 OPRM1 (0.46) HDAC4SLC6A4SLC6A3SLC6A2SMN1; SMN2

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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HDAC4 2155/4885MMP1 4574/4885SLC6A4 986/4885

“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.