SCHEMBL25875900

SCHEMBL25875900

O=C(NCC1CCCCC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MAPK14 Q16539 5/20 0.50
NAMPT P43490 1/20 0.50
JAK2 O60674 5/20 0.49
ROCK2 O75116 5/20 0.49
ROCK1 Q13464 5/20 0.49
JAK3 P52333 4/20 0.49
IKBKB O14920 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49

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
SCHEMBL25875888 0.85 MAOA (0.53) HDAC3HDAC1HDAC2JAK2ROCK2
SCHEMBL22751973 0.80 JAK2 (0.69) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875964 0.79 JAK2 (0.50) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25875889 0.79 JAK2 (0.55) HDAC3HDAC1HDAC2JAK2ROCK2
SCHEMBL25875931 0.78 JAK2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22857527 0.78 JAK2 (0.75) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL22751869 0.78 JAK2 (0.75) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL22751938 0.78 JAK2 (0.75) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL22857549 0.78 JAK2 (0.75) NAMPTJAK2ROCK2ROCK1JAK3
SCHEMBL22752014 0.78 JAK2 (0.75) NAMPTJAK2ROCK2ROCK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 EPHX1 3460/4885HDAC3 1221/4885HDAC4 1251/4885

“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.