SCHEMBL20966252

SCHEMBL20966252

C[C@@H]1CN(Cc2ccc(/C=C/C(=O)O)cc2)C[C@H](C)N1Cc1cccc(CN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.53
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTR2A P28223 4/20 0.44
▸ HTR2C P28335 4/20 0.44
▸ HTR2B P41595 4/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ HIF1A Q16665 2/20 0.42
▸ EPAS1 Q99814 2/20 0.42

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
SCHEMBL20420896 1.00 RAB9A (0.53) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL20966258 0.91 HDAC1 (0.53) HDAC1HDAC6ALDH1A1HTR2AHTR2C
SCHEMBL20421076 0.91 HDAC1 (0.53) HDAC1HDAC6ALDH1A1HTR2AHTR2C
SCHEMBL17079053 0.90 RAB9A (0.56) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL17078711 0.90 RAB9A (0.51) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL20432773 0.90 RAB9A (0.56) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL17079054 0.90 RAB9A (0.56) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL17078713 0.90 RAB9A (0.51) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL20433060 0.90 RAB9A (0.56) RAB9AHDAC1HDAC6LMNAMAPK1
SCHEMBL20421136 0.88 HDAC1 (0.53) RAB9AHDAC1HDAC6LMNAHTR2A

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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 RAB9A 1434/4885HDAC1 2/4885HDAC6 1/4885

“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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