SCHEMBL8006507

SCHEMBL8006507

Cc1ccc(C(=O)C(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
KDM4E B2RXH2 3/20 0.46
DBH P09172 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 3/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MAPT P10636 1/20 0.40
HCAR3 P49019 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL16472169 0.86 HDAC1 (0.55) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL27251889 0.84 HDAC1 (0.56) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL24784491 0.82 HDAC1 (0.50) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL12418685 0.82 P4HTM (0.57) HDAC6KDM4EDBHGAARECQL
SCHEMBL10060485 0.82 P4HTM (0.50) KDM4EDBHGAARECQLKMT2A
SCHEMBL20075228 0.80 HDAC1 (0.49) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL27668678 0.80 HDAC1 (0.49) HDAC1HDAC6PRKAB2PRKAG1PRKAA2
SCHEMBL14519853 0.80 NAPRT (0.62) KDM4EDBHGAARECQLKMT2A
SCHEMBL30530049 0.80 NAPRT (0.62) KDM4EDBHGAARECQLKMT2A
SCHEMBL4400941 0.79 HDAC1 (0.64) HDAC1HDAC6PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228500-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2024-07-11 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
WO-2023279041-A1 INDAZOLE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2023-01-05 WO disclosed
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2021-01-28 US disclosed
WO-2019191189-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2019-10-03 WO disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-2094643-B1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
WO-2009073713-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (9 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 HDAC1 1160/4885HDAC6 750/4885PRKAB2 4150/4885
US-20240228500-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM HDAC1 1305/4885HDAC6 78/4885PRKAB2 4022/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT HDAC1 51/4885HDAC6 121/4885PRKAB2 188/4885
US-11345713-B2 Compounds as modulators of TLR2 signaling TLR2, TLR4, TLR3 HDAC1 1266/4885HDAC6 127/4885PRKAB2 218/4885
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 HDAC1 198/4885HDAC6 899/4885PRKAB2 1053/4885
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 HDAC1 1266/4885HDAC6 127/4885PRKAB2 218/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS HDAC1 590/4885HDAC6 647/4885PRKAB2 4306/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 HDAC1 658/4885HDAC6 3016/4885PRKAB2 2903/4885
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 HDAC1 1266/4885HDAC6 127/4885PRKAB2 218/4885

“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.