SCHEMBL5115961

SCHEMBL5115961

CC(NC(=O)c1cccs1)C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 3/20 0.57
HDAC1 Q13547 1/20 0.53
HPGD P15428 1/20 0.52
HSPA5 P11021 4/20 0.50
HSPA2 P54652 2/20 0.50
HSPA9 P38646 1/20 0.50
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DAO P14920 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSL P07711 1/20 0.47
MAPK10 P53779 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL12376694 0.81 RAB9A (0.66) KMT2AMEN1RAB9AHDAC1HPGD
Hydrochloric Acid SCHEMBL27550180 0.79 RAB9A (0.56) KMT2AMEN1RAB9AHDAC1HPGD
Hydrochloric Acid SCHEMBL27550181 0.79 RAB9A (0.56) KMT2AMEN1RAB9AHDAC1HPGD
SCHEMBL19976901 0.79 GAA (0.59) KMT2AMEN1RAB9AHPGDHSPA5
SCHEMBL355263 0.79
SCHEMBL13753488 0.78 RAB9A (0.62) KMT2AMEN1RAB9AHDAC1HPGD
SCHEMBL23804606 0.78 HSPA5 (0.78) KMT2AMEN1HSPA5HSPA2HSPA9
SCHEMBL4755708 0.77 RAB9A (0.57) KMT2AMEN1RAB9AHDAC1HPGD
SCHEMBL13222414 0.76 RAB9A (0.60) RAB9AHDAC1HPGDHSPA5HSPA2
SCHEMBL3038390 0.76 RAB9A (0.60) KMT2AMEN1RAB9AHDAC1HPGD

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
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 KMT2A 3700/4885MEN1 2513/4885RAB9A 232/4885

“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.