SCHEMBL3222604

SCHEMBL3222604

CCC(N)(CC)CN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.40
P2RX3 P56373 3/20 0.37
BACE1 P56817 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC2 Q92769 8/20 0.36
HDAC3 O15379 7/20 0.36
NCOR2 Q9Y618 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC10 Q969S8 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 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
SCHEMBL3226217 0.91 MAPT (0.40) HDAC1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3222593 0.88 HDAC1 (0.40) HDAC1P2RX3BACE1SMN1; SMN2NPC1
SCHEMBL3223180 0.86 HDAC1 (0.38) HDAC1P2RX3BACE1SMN1; SMN2NPC1
SCHEMBL3231767 0.85 ROCK2 (0.41) HDAC1P2RX3SMN1; SMN2NPC1RAB9A
SCHEMBL3234430 0.82 LMNA (0.41) HDAC1P2RX3MEN1LMNAMAPT
SCHEMBL3234284 0.82 MCHR1 (0.47) BACE1LMNAMAPTMAPK1
SCHEMBL1496829 0.81 ROCK2 (0.43) HDAC1P2RX3BACE1SMN1; SMN2NPC1
SCHEMBL3225150 0.81 MCHR1 (0.42) LMNAMAPT
SCHEMBL3231970 0.81 MCHR1 (0.45) HDAC1P2RX3BACE1MAPTMAPK1
SCHEMBL3230283 0.81 KDM4E (0.41) HDAC1P2RX3SMN1; SMN2NPC1RAB9A

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 HDAC1 1/4885P2RX3 4220/4885BACE1 2754/4885

“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.