SCHEMBL13021519

SCHEMBL13021519

NCC(C(=O)Nc1ccc2ccccc2c1)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.80
▸ ROCK1 Q13464 1/20 0.58
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13074675 0.89 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2776144 0.79 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL18826410 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18826405 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL113997 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2775733 0.76 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL22002219 0.76 ROCK2 (0.82) ROCK2ROCK1
SCHEMBL2776673 0.76 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL25773086 0.75 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL25773082 0.75 ROCK2 (0.56) ROCK2ROCK1

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-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 — — US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 — — 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-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MEN1 2655/4885

“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.

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