Sugi Predict

Sugi Predict / Compounds / SCHEMBL79075

SCHEMBL79075

SCHEMBL79075

FC(F)(F)c1ccccc1CCCBr

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ DAO P14920 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLQ O75417 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL17861582 0.94 HDAC1 (0.50) IDO1HDAC1HDAC8DAOGAA
SCHEMBL3126891 0.88 IDO1 (0.52) IDO1HDAC1HDAC8DAOGAA
SCHEMBL30252413 0.88 IDO1 (0.52) IDO1HDAC1HDAC8DAOGAA
Ammonia Solution, Strong SCHEMBL27704287 0.86 IDO1 (0.50) IDO1HDAC1HDAC8DAOGAA
SCHEMBL17329111 0.83 IDO1 (0.59) IDO1HDAC1HDAC8DAOALDH1A1
SCHEMBL4527 0.81 IDO1 (0.57) IDO1DAOALDH1A1KDM4EATM
SCHEMBL29427013 0.81 IDO1 (0.57) IDO1DAOALDH1A1KDM4EATM
SCHEMBL2096669 0.80 IDO1 (0.48) IDO1HDAC1HDAC8DAOGAA
SCHEMBL80582 0.80 HDAC1 (0.51) IDO1HDAC1HDAC8DAOGAA
SCHEMBL7504635 0.80 IDO1 (0.48) IDO1HDAC1HDAC8DAOGAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712403-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-09-10 — — EP claimed
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 — — EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-11498896-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2022-11-15 — — US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 — — US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 — — US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 — — CN disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 — — EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 — — US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 — — EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 — — EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 — — 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 (7 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 IDO1 993/4885HDAC1 3495/4885HDAC8 3409/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 IDO1 1260/4885HDAC1 3174/4885HDAC8 2920/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 IDO1 1702/4885HDAC1 2763/4885HDAC8 2910/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 IDO1 1260/4885HDAC1 3174/4885HDAC8 2920/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 IDO1 1260/4885HDAC1 3174/4885HDAC8 2920/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 IDO1 1260/4885HDAC1 3174/4885HDAC8 2920/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C IDO1 5/4885HDAC1 1877/4885HDAC8 1814/4885

“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.