Sugi Predict

Sugi Predict / Compounds / SCHEMBL843886

SCHEMBL843886

SCHEMBL843886

Nc1ccc(C2CC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NR4A1 P22736 1/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ QDPR P09417 2/20 0.36
▸ POLB P06746 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL9108966 0.91 BACE1 (0.44) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL15156130 0.91 BACE1 (0.49) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL29653784 0.91 BACE1 (0.44) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL3985023 0.89 BACE1 (0.51) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL30432645 0.85 HTR1D (0.38) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL15157184 0.85 HTR1D (0.38) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL15157280 0.82 QDPR (0.59) HDAC1HDAC2HDAC3QDPRHRH3
SCHEMBL12667238 0.82 HDAC3 (0.34) HDAC1HDAC2HDAC3TDP1MEN1
SCHEMBL30778335 0.82 QDPR (0.59) HDAC1HDAC2HDAC3QDPRHRH3
SCHEMBL6940702 0.81 HDAC2 (0.38) HDAC1HDAC2HDAC3BACE1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 — — EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2020-08-27 — — US disclosed
WO-2018119395-A1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2018-06-28 — — WO disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 — — EP disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 — — EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — US disclosed
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 — — EP disclosed
US-7781203-B2 Supports for assaying analytes and methods of making and using thereof CORNING INCORPORATED (US) 2010-08-24 — — US disclosed
EP-2188276-A1 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2010-05-26 — — EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 — — US disclosed
WO-2009021887-A1 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 — — WO disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 — — EP 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 (6 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 HDAC1 2433/4885HDAC2 2844/4885HDAC3 2404/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 HDAC1 2433/4885HDAC2 2844/4885HDAC3 2404/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 HDAC1 2433/4885HDAC2 2844/4885HDAC3 2404/4885
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 HDAC1 1039/4885HDAC2 1307/4885HDAC3 2054/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HDAC1 877/4885HDAC2 1661/4885HDAC3 1776/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HDAC1 877/4885HDAC2 1661/4885HDAC3 1776/4885

“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.