SCHEMBL4726581

SCHEMBL4726581

COCCOCc1csc(NC(=O)NCc2cc(Br)c(Br)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.40
ROCK2 O75116 5/20 0.40
LMNA P02545 5/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
PDE5A O76074 2/20 0.34

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
SCHEMBL4725195 0.85 LMNA (0.44) ROCK1ROCK2LMNAMEN1KMT2A
SCHEMBL4727253 0.82 ROCK1 (0.48) ROCK1ROCK2MEN1KMT2ARAB9A
SCHEMBL4780069 0.81 KMT2A (0.44) ROCK1ROCK2LMNAMEN1KMT2A
SCHEMBL4726284 0.81 MEN1 (0.47) ROCK1ROCK2LMNAMEN1KMT2A
SCHEMBL4776809 0.80 ROCK1 (0.46) ROCK1ROCK2RAB9AMAPK1
SCHEMBL4780086 0.80 ROCK1 (0.54) ROCK1ROCK2
SCHEMBL4726583 0.79 ROCK1 (0.54) ROCK1ROCK2LMNARAB9AMAPT
SCHEMBL4776791 0.78 ROCK1 (0.45) ROCK1ROCK2LMNARAB9ASMN1; SMN2
SCHEMBL4726466 0.77 ROCK1 (0.49) ROCK1ROCK2LMNAMEN1KMT2A
SCHEMBL4778386 0.77 ROCK1 (0.46) ROCK1ROCK2LMNANPC1RAB9A

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 ROCK1 4331/4885ROCK2 4405/4885LMNA 3271/4885

“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.