SCHEMBL5576532

SCHEMBL5576532

N[C@@H](CNC1CCCC1)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ANPEP P15144 4/20 0.37
ERAP2 Q6P179 4/20 0.37
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC2A1 P11166 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE4A P27815 1/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5575374 0.76 KDM4E (0.59) KDM4EANPEPERAP2LMNACYP1A2
SCHEMBL9350980 0.76 KDM4E (0.59) KDM4EANPEPERAP2LMNACYP1A2
SCHEMBL28298132 0.73 SLC6A2 (0.46) KDM4ECYP2D6ALDH1A1
SCHEMBL14873238 0.73 IDO1 (0.36) PDE4A
SCHEMBL14862307 0.73 IDO1 (0.36) PDE4A
Hydrochloric Acid SCHEMBL15400532 0.71 IDO1 (0.39) KDM4ELMNAPDE4A
SCHEMBL6783132 0.70 GRIA4 (0.56) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL5575277 0.70 GLA (0.43) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL18034384 0.69 IDO1 (0.42) HRH3
SCHEMBL2555848 0.69 IDO1 (0.36)

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KDM4E 3689/4885ANPEP 1479/4885ERAP2 2051/4885

“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.