SCHEMBL20959020

SCHEMBL20959020

O=C(O)N[C@@H]1CCCC[C@H]1N1CCCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 2/20 0.38
▸ F10 P00742 1/20 0.36
▸ CCR2 P41597 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20959395 0.79 NPC1 (0.36) F10RAB9A
SCHEMBL20959117 0.78 F10 (0.36) F10
SCHEMBL20958741 0.76 F10 (0.39) F10ALDH1A1KMT2A
SCHEMBL20959070 0.75 F10 (0.38) F10RAB9AALDH1A1KMT2A
SCHEMBL20958793 0.74 PDE7A (0.36) F10NPY5R
SCHEMBL20959484 0.74 PDE7A (0.38) NPY5RALDH1A1
SCHEMBL28376375 0.71 CDA (0.39) CDAL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20959062 0.70 CDA (0.38) CDAL3MBTL1ALDH1A1KMT2A
SCHEMBL19271812 0.70 CDA (0.42) CDAF10L3MBTL1NPY5RALDH1A1
SCHEMBL28887268 0.70 CDA (0.36) CDAL3MBTL1NPY5RKMT2A

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-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 — — US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 — — 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 (2 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 CDA 4632/4885F10 4590/4885CCR2 3430/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 CDA 4339/4885F10 4461/4885CCR2 3288/4885

“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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