SCHEMBL3226217

SCHEMBL3226217

CCC(N)(CC)CN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
KCNQ4 P56696 3/20 0.37
KCNQ5 Q9NR82 3/20 0.37
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 6/20 0.35
HDAC3 O15379 5/20 0.35
NCOR2 Q9Y618 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK1 Q13464 1/20 0.34
ROCK2 O75116 1/20 0.34
SCD O00767 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL3222604 0.91 HDAC1 (0.40) MAPTSMN1; SMN2NPSR1RXFP1KCNQ4
SCHEMBL3226208 0.87 MAPT (0.40) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3230597 0.87 ROCK2 (0.47) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3231996 0.86 MAPT (0.39) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3225995 0.85 ROCK2 (0.44) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3230241 0.85 ROCK2 (0.43) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3262049 0.85 ROCK2 (0.42) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL1496834 0.82 ROCK2 (0.46) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3225619 0.82 ALDH1A1 (0.42) MAPTGAAXBP1SMN1; SMN2NPSR1
SCHEMBL3232305 0.81 MCHR1 (0.42) MAPTROCK1ROCK2

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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 MAPT 544/4885GAA 757/4885XBP1 1444/4885

“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.