SCHEMBL15831237

SCHEMBL15831237

COc1cccc(C(C)NC(=O)C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
GPR139 Q6DWJ6 4/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ROCK1 Q13464 6/20 0.57
ROCK2 O75116 5/20 0.57
PRKG1 Q13976 3/20 0.57
PRKACA P17612 3/20 0.57
GSK3A P49840 3/20 0.57
GSK3B P49841 3/20 0.57
PRKX P51817 3/20 0.57
PRKCQ Q04759 3/20 0.57
CYP3A4 P08684 2/20 0.57
CHEK1 O14757 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
RPS6KA5 O75582 1/20 0.57
PRKCG P05129 1/20 0.57

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
SCHEMBL29051699 0.88 SMN1; SMN2 (0.63) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL6969020 0.86 ACACB (0.67) POLBSMN1; SMN2MEN1KMT2AROCK1
SCHEMBL14380839 0.86 ACACB (0.67) POLBSMN1; SMN2MEN1KMT2AROCK1
SCHEMBL28360621 0.86 POLB (0.64) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL25274189 0.84 POLB (0.63) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL31173723 0.84 POLB (0.63) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL18765938 0.84 POLB (0.56) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL29676937 0.84 POLB (0.56) POLBSMN1; SMN2GPR139MEN1KMT2A
SCHEMBL20720046 0.83 POLB (0.58) POLBSMN1; SMN2GPR139MEN1KMT2A
Hydrochloric Acid SCHEMBL18766203 0.83 POLB (0.55) POLBSMN1; SMN2GPR139MEN1KMT2A

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-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 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-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA POLB 3655/4885SMN1; SMN2 427/4885GPR139 3154/4885

“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.