SCHEMBL105171

SCHEMBL105171

CNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC2 Q92769 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
PLK1 P53350 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN2A Q99250 1/20 0.51
NPC1 O15118 3/20 0.50
HDAC1 Q13547 2/20 0.50
DEGS1 O15121 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA2 P00918 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
SCHEMBL19391346 0.94 HDAC2 (0.53) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL20482354 0.89 SMN1; SMN2 (0.76) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL2422473 0.85 HDAC8 (0.57) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL8247872 0.83 ROCK2 (0.58) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL8255268 0.83 ROCK2 (0.58) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL12052085 0.83 ROCK2 (0.58) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL38658322 0.83 SCN5A (0.56) HDAC6HDAC8SMN1; SMN2HPGDRAB9A
SCHEMBL250247 0.83 HDAC6 (0.80) HDAC6HDAC8HDAC2SMN1; SMN2HPGD
SCHEMBL5943921 0.83 HDAC6 (0.71) HDAC6HDAC8HDAC2SMN1; SMN2RAB9A
SCHEMBL12069255 0.82 SCN5A (0.59) HDAC6HDAC8SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
WO-2023205794-A1 COMBINATION THERAPY USING A PYRIMIDONE DERIVATIVE AS PTPN11 INHIBITOR AND A PD-1/PD-L1 INHIBITOR AND ITS USE IN THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-26 WO disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
WO-2023168246-A2 SELECTIVE G PROTEIN-COUPLED RECEPTOR KINASE 5 INHIBITORS, COMPOSITIONS, AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2023-09-07 WO disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
CN-100351228-C Hydroxamic acid derivatives and the method for preparing thereof AMOREPACIFIC CORP (KR) 2007-11-28 CN disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
CN-1839115-A Hydroxamic acid derivatives and preparation method thereof AMOREPACIFIC CORP (KR) 2006-09-27 CN 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 (10 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HDAC6 2467/4885HDAC8 3449/4885HDAC2 2683/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO HDAC6 2017/4885HDAC8 2116/4885HDAC2 2534/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HDAC6 1011/4885HDAC8 900/4885HDAC2 514/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 HDAC6 3011/4885HDAC8 2211/4885HDAC2 2261/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT HDAC6 121/4885HDAC8 413/4885HDAC2 138/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 HDAC6 265/4885HDAC8 791/4885HDAC2 182/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL HDAC6 12/4885HDAC8 97/4885HDAC2 196/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HDAC6 2041/4885HDAC8 1517/4885HDAC2 1915/4885
US-20230302142-A1 Cytotoxic Agents ANXA11, ANXA5, HAX1 HDAC6 4819/4885HDAC8 4098/4885HDAC2 4857/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 HDAC6 260/4885HDAC8 210/4885HDAC2 187/4885

“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.