SCHEMBL22482980

SCHEMBL22482980

O=C(NOCc1ccccc1)c1ccc(CN(C(=O)c2cc(F)c(F)c(F)c2F)C2CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ HDAC6 Q9UBN7 7/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ AGER Q15109 2/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ HDAC1 Q13547 5/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL22482985 0.82 HDAC6 (0.56) HDAC6HDAC8HDAC1
SCHEMBL24472824 0.73 HDAC6 (0.73) HDAC6HDAC8
SCHEMBL22482983 0.71 OPRM1 (0.36) NPC1RAB9AHDAC6OPRM1AGER
SCHEMBL22482981 0.65 HDAC6 (0.65) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL22482882 0.64 HDAC6 (0.51) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL13479882 0.64 RAB9A (0.65) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL6797269 0.64 NPC1 (0.56) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL5120704 0.64 RAB9A (1.00) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL38651175 0.63 RAB9A (0.73) NPC1RAB9AHDAC6HDAC8HDAC1
SCHEMBL4805215 0.63 RAB9A (0.83) NPC1RAB9AHDAC6HDAC8HDAC1

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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 2022-06-02 — — US disclosed
WO-2020194272-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 2020-10-01 — — WO 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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 NPC1 232/4885RAB9A 1007/4885HDAC6 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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