SCHEMBL13061927

SCHEMBL13061927

Nc1ccc2nn(C3CCCCO3)cc2c1CC=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
ABL1 P00519 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL11913135 0.85 ABL1 (0.33) ALDH1A1GAAABL1
SCHEMBL1141792 0.80 PDE8B (0.37) ALDH1A1LMNAPOLBGAAABL1
SCHEMBL114987 0.76 ALDH1A1 (0.33) ALDH1A1LMNAPOLBGAAABL1
SCHEMBL1141595 0.74 ERN1 (0.37) ABL1CD274
SCHEMBL11911434 0.74 ABL1 (0.39) ALDH1A1GAAABL1
SCHEMBL11911433 0.72 ABL1 (0.38) ALDH1A1ABL1CD274
SCHEMBL14313780 0.71 ALDH1A1 (0.40) ALDH1A1LMNAPOLBGAAABL1
SCHEMBL11911432 0.70 ABL1 (0.41) ALDH1A1GAAABL1CD274
SCHEMBL13775461 0.70 ABL1 (0.35) ALDH1A1ABL1CD274
SCHEMBL457479 0.69 CYP2C19 (0.33) ALDH1A1LMNAPOLBGAAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 US disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 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-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 ALDH1A1 4395/4885LMNA 1711/4885POLB 1454/4885

“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.