SCHEMBL4780451

SCHEMBL4780451

COCCOCc1csc(NC(=O)NC(C)c2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.48
ROCK1 Q13464 8/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4727253 0.82 ROCK1 (0.48) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL4780455 0.80 FPR2 (0.48) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL4780086 0.76 ROCK1 (0.54) ROCK2ROCK1
SCHEMBL4725195 0.76 LMNA (0.44) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL4778386 0.73 ROCK1 (0.46) ROCK2ROCK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4725670 0.73 ROCK2 (0.55) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL4726284 0.73 MEN1 (0.47) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL2181162 0.73 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2179926 0.73 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4726581 0.73 ROCK1 (0.40) ROCK2ROCK1MEN1KMT2AALDH1A1

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 ROCK2 4405/4885ROCK1 4331/4885MEN1 2838/4885

“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.