SCHEMBL4755708

SCHEMBL4755708

CCOC(=O)C(C)NC(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 2/20 0.53
HPGD P15428 5/20 0.53
NPC1 O15118 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CASP1 P29466 2/20 0.51
MAPT P10636 2/20 0.51
CASP7 P55210 1/20 0.51
BAP1 Q92560 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL30302029 0.86 RAB9A (0.55) RAB9AALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL27550180 0.85 RAB9A (0.56) RAB9AALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL27550181 0.85 RAB9A (0.56) RAB9AALDH1A1KDM4ELMNAGAA
SCHEMBL12376694 0.81 RAB9A (0.66) RAB9AALDH1A1KDM4ELMNAGAA
SCHEMBL10810226 0.78 CTSK (0.50) RAB9AALDH1A1KDM4ELMNAGAA
SCHEMBL5115961 0.77 KMT2A (0.59) RAB9AALDH1A1LMNAHPGDNPC1
SCHEMBL7371106 0.77 HPGD (0.50) RAB9AALDH1A1KDM4ELMNATSHR
SCHEMBL30433446 0.76 RAB9A (0.60) RAB9AALDH1A1KDM4ELMNAGAA
SCHEMBL13056670 0.76 TSHR (0.47) RAB9AALDH1A1KDM4ELMNAGAA
SCHEMBL13222414 0.76 RAB9A (0.60) RAB9AALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA RAB9A 232/4885ALDH1A1 3968/4885KDM4E 2460/4885

“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.