SCHEMBL4780069

SCHEMBL4780069

COCCOCc1csc(NC(=O)NCc2ccc(Cl)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ROCK1 Q13464 8/20 0.41
ROCK2 O75116 6/20 0.41
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
GAA P10253 1/20 0.37

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 0.88 LMNA (0.44) KMT2AMEN1ROCK1ROCK2LMNA
SCHEMBL4726284 0.84 MEN1 (0.47) KMT2AMEN1ROCK1ROCK2LMNA
SCHEMBL355897 0.82 KMT2A (0.44) KMT2AMEN1ROCK1ROCK2LMNA
SCHEMBL4726581 0.81 ROCK1 (0.40) KMT2AMEN1ROCK1ROCK2LMNA
SCHEMBL4777271 0.81 ROCK1 (0.48) ROCK1ROCK2LMNASMN1; SMN2MAPK1
SCHEMBL4727253 0.81 ROCK1 (0.48) KMT2AMEN1ROCK1ROCK2RAB9A
SCHEMBL4725491 0.80 ROCK1 (0.47) ROCK1ROCK2LMNAMAPK1
SCHEMBL4726471 0.80 ROCK1 (0.47) ROCK1ROCK2LMNAMAPK1
SCHEMBL4779953 0.80 ROCK1 (0.58) ROCK1ROCK2LMNAMAPTRAB9A
SCHEMBL4778386 0.80 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 KMT2A 3349/4885MEN1 2838/4885ROCK1 4331/4885

“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.