SCHEMBL8401892

SCHEMBL8401892

CCC(=O)Nc1cccc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.73
POLB P06746 3/20 0.69
HTT P42858 1/20 0.66
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HDAC6 Q9UBN7 3/20 0.63
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 4/20 0.60

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
SCHEMBL1753903 0.89 TDP1 (0.79) TDP1POLBHTTLMNAMAPT
SCHEMBL28257108 0.88 POLB (0.74) TDP1POLBHTTLMNAMAPT
SCHEMBL9464627 0.87 POLB (0.88) TDP1POLBHTTLMNAMAPT
SCHEMBL28601651 0.85 HTT (0.76) TDP1POLBHTTLMNAMAPT
SCHEMBL31174344 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL28774204 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL9464308 0.84 HTT (0.89) TDP1POLBHTTLMNAMAPT
SCHEMBL5442495 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL4025035 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT
SCHEMBL4866729 0.84 TDP1 (0.73) TDP1POLBHTTLMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-09-09 US disclosed
CN-106938985-B 5-site alkenylated 8-acylaminoquinoline compound and one-pot preparation method thereof 湖南大学 2020-05-05 CN disclosed
CN-106674105-B A kind of position C5 selective halogenation method of amide quinoline 温州大学 2019-06-04 CN disclosed
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-09 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE HDAC7, HDAC3, HDAC8 TDP1 2954/4885POLB 2092/4885HTT 2015/4885
US-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE TBCB, QDPR, UBE2B TDP1 2769/4885POLB 249/4885HTT 3974/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 TDP1 2777/4885POLB 751/4885HTT 711/4885

“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.