SCHEMBL4249228

SCHEMBL4249228

CC(=O)c1ccc(NC(c2ccsc2)C2CCN([C@H](C)CCN)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
UBE2M P61081 6/20 0.33
DCUN1D1 Q96GG9 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR5 P51681 1/20 0.32
POLB P06746 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
SCHEMBL4240517 0.81 UBE2M (0.41) UBE2MDCUN1D1CCR5POLB
SCHEMBL4235933 0.72 CCR5 (0.54) CCR5
SCHEMBL4245557 0.65 UBE2M (0.48) NPC1RAB9ALMNAL3MBTL1UBE2M
SCHEMBL11318125 0.65 HRH3 (0.40)
SCHEMBL3762699 0.64 MCHR1 (0.42) CCR5
SCHEMBL3758110 0.64 MCHR1 (0.42) CCR5
SCHEMBL4240697 0.64 CCR5 (0.54) CCR5
SCHEMBL4248637 0.64 CCR5 (0.54) CCR5
SCHEMBL3749924 0.63 CCR5 (0.65) UBE2MDCUN1D1CCR5
SCHEMBL3757893 0.63 CCR5 (0.50) CCR5

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 NPC1 542/4885RAB9A 2043/4885TDP1 4502/4885

“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.