Sugi Predict

Sugi Predict / Compounds / SCHEMBL20985682

SCHEMBL20985682

SCHEMBL20985682

O=C(CCCBr)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.72
▸ HDAC1 Q13547 2/20 0.72
▸ HDAC7 Q8WUI4 2/20 0.72
▸ HDAC2 Q92769 2/20 0.72
▸ HDAC10 Q969S8 2/20 0.72
▸ HDAC11 Q96DB2 2/20 0.72
▸ HDAC8 Q9BY41 2/20 0.72
▸ HDAC6 Q9UBN7 2/20 0.72
▸ HDAC5 Q9UQL6 2/20 0.72
▸ HDAC4 P56524 1/20 0.72
▸ HDAC9 Q9UKV0 1/20 0.72
▸ EPHX2 P34913 7/20 0.70
▸ GBA1 P04062 3/20 0.62
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ FAAH O00519 1/20 0.55
▸ EPHX1 P07099 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL5355989 0.96 HDAC3 (0.73) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL17293731 0.96 HDAC3 (0.73) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL4862054 0.91 HDAC3 (0.64) HDAC3HDAC1HDAC7HDAC2HDAC10
Hydrochloric Acid SCHEMBL10401672 0.89 HDAC3 (0.62) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL12237542 0.85 HDAC3 (0.72) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL1193774 0.85 HDAC3 (0.72) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL12237547 0.84 EPHX2 (0.73) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL15310250 0.84 HDAC3 (0.70) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL21019534 0.84 EPHX2 (0.97) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL8296332 0.84 HDAC1 (1.00) HDAC3HDAC1HDAC7HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB HDAC3 164/4885HDAC1 136/4885HDAC7 303/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB HDAC3 164/4885HDAC1 136/4885HDAC7 303/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB HDAC3 164/4885HDAC1 136/4885HDAC7 303/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB HDAC3 164/4885HDAC1 136/4885HDAC7 303/4885

“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.