SCHEMBL20592122

SCHEMBL20592122

O=C(O)Nc1ccccc1NC(=O)c1ccc(NC2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 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
SCHEMBL20592144 0.92 NAMPT (0.48) SMN1; SMN2KMT2AMEN1LMNALTA4H
SCHEMBL18361286 0.88 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20592161 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1LMNALTA4H
SCHEMBL18361285 0.85 DRD2 (0.51) SMN1; SMN2LMNALTA4HNAMPTHDAC1
SCHEMBL18361331 0.84 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL20592185 0.83 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL18361300 0.83 HDAC1 (0.52) NAMPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL20592115 0.83 HDAC1 (0.42) SMN1; SMN2KMT2AMEN1LMNAHDAC1
SCHEMBL18361336 0.82 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL18361372 0.82 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 — — US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 — — US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 — — US disclosed
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2018-12-27 — — 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 (4 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 SMN1; SMN2 4294/4885KMT2A 68/4885MEN1 4476/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 SMN1; SMN2 4294/4885KMT2A 68/4885MEN1 4476/4885
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 SMN1; SMN2 4294/4885KMT2A 68/4885MEN1 4476/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 SMN1; SMN2 4294/4885KMT2A 68/4885MEN1 4476/4885

“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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