SCHEMBL1639102

SCHEMBL1639102

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 3/20 1.00
HDAC3 O15379 1/20 1.00
HDAC4 P56524 1/20 1.00
HDAC7 Q8WUI4 1/20 1.00
HDAC10 Q969S8 1/20 1.00
HDAC11 Q96DB2 1/20 1.00
HDAC8 Q9BY41 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
HDAC9 Q9UKV0 1/20 1.00
HDAC5 Q9UQL6 1/20 1.00
KCNH2 Q12809 13/20 0.79

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
SCHEMBL29763473 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1639123 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1639119 0.87 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1640951 0.86 KCNH2 (0.89) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1639960 0.86 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1640711 0.84 KCNH2 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578327 0.83 HDAC2 (0.82) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20181475 0.83 KCNH2 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL652679 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL653795 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US claimed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 US claimed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 EP claimed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 US claimed
EP-1954698-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP claimed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO claimed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US claimed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 US disclosed
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 US disclosed
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 US disclosed
US-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-08-05 US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 US disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 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 (8 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-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ATXN2L, ATXN2, ATXN10 HDAC1 1805/4885HDAC2 2719/4885HDAC3 1962/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 HDAC1 1578/4885HDAC2 2920/4885HDAC3 3028/4885
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 HDAC1 1578/4885HDAC2 2920/4885HDAC3 3028/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 HDAC1 2341/4885HDAC2 1342/4885HDAC3 2178/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 HDAC1 12/4885HDAC2 24/4885HDAC3 8/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885HDAC3 10/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885HDAC3 10/4885
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, UBQLN2, UBTF HDAC1 650/4885HDAC2 1526/4885HDAC3 1673/4885

“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.