SCHEMBL4516000

SCHEMBL4516000

NC(c1ccc(C(=O)Nc2ccncc2)cc1-c1cccs1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.48
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK1 Q13464 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GFER P55789 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4515990 1.00 ROCK2 (0.48) ROCK2ALDH1A1GAAMAPTLMNA
SCHEMBL4507804 0.96 ROCK2 (0.47) ROCK2ALDH1A1GAAMAPTLMNA
SCHEMBL4510844 0.96 ALDH1A1 (0.48) ROCK2ALDH1A1GAAMAPTLMNA
SCHEMBL4510848 0.96 ALDH1A1 (0.48) ROCK2ALDH1A1GAAMAPTLMNA
SCHEMBL4507797 0.96 ROCK2 (0.47) ROCK2ALDH1A1GAAMAPTLMNA
SCHEMBL4516227 0.86 ROCK2 (0.65) ROCK2ALDH1A1GAALMNAKDM4E
SCHEMBL4517803 0.86 ROCK2 (0.65) ROCK2ALDH1A1GAALMNAKDM4E
SCHEMBL4525617 0.86 ROCK2 (0.65) ROCK2ALDH1A1GAALMNAKDM4E
Hydrochloric Acid SCHEMBL4514078 0.85 ROCK2 (0.64) ROCK2ALDH1A1GAALMNAKDM4E
Hydrochloric Acid SCHEMBL4521055 0.85 ROCK2 (0.64) ROCK2ALDH1A1GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885ALDH1A1 2810/4885GAA 1719/4885

“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.