SCHEMBL4727779

SCHEMBL4727779

CCOC(=O)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
LMNA P02545 4/20 0.62
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
NPC1 O15118 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 2/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10237515 0.87 ROCK1 (0.67) ROCK2ROCK1
SCHEMBL3651578 0.85 ROCK1 (0.64) ROCK2ROCK1RAB9AMAPK1
SCHEMBL353725 0.83 ROCK1 (0.66) ROCK2ROCK1
SCHEMBL354019 0.83 ROCK1 (0.68) ROCK2ROCK1
SCHEMBL4780435 0.83 LMNA (0.64) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL353310 0.82 ROCK1 (0.59) MAPTSMN1; SMN2ROCK2ROCK1HPGD
SCHEMBL352614 0.82 ROCK1 (0.67) ROCK2ROCK1
SCHEMBL19119539 0.82 ROCK1 (0.67) ROCK2ROCK1
SCHEMBL353303 0.82 ROCK1 (0.67) SMN1; SMN2ROCK2ROCK1KMT2A
SCHEMBL3513975 0.82 ROCK2 (0.61) ROCK2ROCK1

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 MAPT 2119/4885LMNA 3271/4885TP53 1761/4885

“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.