SCHEMBL4726533

SCHEMBL4726533

O=C(O)Nc1nc(COCCOc2ccccc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 6/20 0.58
HTT P42858 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 5/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.54
PDE5A O76074 3/20 0.53
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48

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
SCHEMBL4782084 0.82 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4780444 0.80 NPC1 (0.57) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4725485 0.79 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4959287 0.78 MAPK1 (0.56) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4871628 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4777062 0.77 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4779029 0.77 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL10550677 0.76 NPC1 (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL4779874 0.76 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL15427054 0.75 NPC1 (0.75) RAB9ANPC1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 RAB9A 1509/4885NPC1 2049/4885SMN1; SMN2 4077/4885

“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.