SCHEMBL5124609

SCHEMBL5124609

COc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
TP53 P04637 1/20 0.65
HDAC1 Q13547 2/20 0.62
HDAC8 Q9BY41 1/20 0.62
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
THRB P10828 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.54
ATM Q13315 1/20 0.54
HDAC2 Q92769 1/20 0.53
ROCK2 O75116 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PRKACA P17612 1/20 0.53

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
SCHEMBL5115271 0.87 ROCK2 (0.62) MAPTTP53ALDH1A1SMN1; SMN2THRB
SCHEMBL4789041 0.79 LMNA (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8325247 0.77 LMNA (0.74) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5116727 0.77 ROCK2 (0.68) KDM4EALDH1A1MEN1KMT2AROCK2
SCHEMBL4516428 0.76 GPR119 (0.53) MAPTTP53KDM4EALDH1A1MEN1
SCHEMBL4790140 0.75 LMNA (0.84) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL15133520 0.74 KMT2A (0.63) MAPTTP53HDAC1HDAC8KDM4E
SCHEMBL1568734 0.74 RAB9A (0.68) HDAC1HDAC8ALDH1A1MEN1KMT2A
SCHEMBL20838112 0.73 HDAC4 (0.74) HDAC1HDAC8
SCHEMBL19835612 0.73 MAPT (0.64) MAPTTP53HDAC1HDAC8ALDH1A1

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 MAPT 1499/4885TP53 1634/4885HDAC1 1321/4885

“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.