SCHEMBL8279

SCHEMBL8279

c1ccc([C](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 3/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CTSD P07339 1/20 0.43
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL16799032 0.87 CES2 (0.47) TDP1L3MBTL1LMNACES2CES1
SCHEMBL6984913 0.87 TDP1 (0.47) TDP1L3MBTL1LMNAHDAC3HDAC4
SCHEMBL8429409 0.79 CES2 (0.53) L3MBTL1CES2CES1POLBALDH1A1
SCHEMBL10740818 0.79 L3MBTL1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL5941218 0.77 CES2 (0.56) TDP1L3MBTL1CES2CES1POLB
SCHEMBL1383906 0.76 LMNA (0.60) TDP1L3MBTL1LMNACES2CES1
SCHEMBL5013786 0.74 TDP1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL16062547 0.74 L3MBTL1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL11533456 0.74 L3MBTL1 (0.54) TDP1L3MBTL1LMNACES2CES1
SCHEMBL2927912 0.74 L3MBTL1 (1.00) TDP1L3MBTL1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246931-A1 PROCESS FOR THE PREPARATION OF TAZOBACTAM HOSPIRA, INC. (US) 2015-09-03 US claimed
US-7569599-B2 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US claimed
CN-109053818-A The preparation of fluorinated alpha-diimine nickel (II) complex replaced containing ortho position benzhydryl for vinyl polymerization 常州大学 2018-12-21 CN disclosed
US-10150742-B2 Substituted heterocyclic compounds for treating or preventing viral infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-12-11 US disclosed
US-20170267659-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-21 US disclosed
US-9708287-B2 Chiral compounds, compositions, products and methods employing same CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2017-07-18 US disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 US disclosed
EP-3144305-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2017-03-22 EP disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-9469609-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2016-10-18 US disclosed
US-9452992-B2 Small molecule inhibitors of ebola and lassa fever viruses PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-27 US disclosed
US-4640798-A Intermediates for the preparation of penicillin and cephalosporin compounds LILLY INDUSTRIES LTD. (GB) 1987-02-03 US disclosed
US-4558124-A Preparation of cephalosporin intermediate compounds LILLY INDUSTRIES LIMITED (GB) 1985-12-10 US disclosed
US-4500526-A ANTIBIOTICS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1985-02-19 US disclosed
US-4474879-A Process for 3-hydroxymethyl cephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-10-02 US disclosed
US-4459405-A Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-07-10 US disclosed
EP-0109300-A2 Desacetylcephalosporin sulfones ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed
US-4008229-A Halo substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3953440-A Deacetoxycephalosporins via penicillin sulfoxide rearrangement ELI LILLY AND COMPANY (US) 1976-04-27 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 (3 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-10150742-B2 Substituted heterocyclic compounds for treating or preventing viral infections HAVCR2, DDX5, DPYD TDP1 1113/4885L3MBTL1 2772/4885LMNA 2765/4885
US-20170267659-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND CYP2B6, CYP2D6, CYP2J2 TDP1 3517/4885L3MBTL1 4881/4885LMNA 3321/4885
US-20150246931-A1 PROCESS FOR THE PREPARATION OF TAZOBACTAM FDPS, BPGM, MPST TDP1 4516/4885L3MBTL1 4381/4885LMNA 3509/4885

“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.