SCHEMBL4726544

SCHEMBL4726544

O=C(NCc1ccc(Cl)c(Cl)c1)Nc1nc(COc2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 5/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ADRB2 P07550 1/20 0.49
PDE5A O76074 3/20 0.48
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 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
SCHEMBL4725485 0.92 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL4726379 0.85 TSHR (0.51) SMN1; SMN2MAPK1ROCK2ROCK1TRPV1
SCHEMBL4781259 0.83 SCD (0.53) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL4777145 0.83 SCD (0.51) MAPK1ROCK2ROCK1TRPV1
SCHEMBL353663 0.83 KMT2A (0.51) SMN1; SMN2KMT2AMAPK1ROCK2ROCK1
SCHEMBL4725694 0.83 ROCK1 (0.44) MAPK1ROCK2ROCK1TRPV1
SCHEMBL353066 0.83 ROCK1 (0.46) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL4726154 0.82 ROCK1 (0.42) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL4778546 0.82 ROCK1 (0.44) MAPK1ROCK2ROCK1TRPV1
SCHEMBL351643 0.82 ROCK1 (0.49) MAPK1ROCK2ROCK1TRPV1

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

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

“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.