SCHEMBL4866729

SCHEMBL4866729

O=C(CCl)Nc1cccc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.73
POLB P06746 2/20 0.69
HTT P42858 2/20 0.66
HDAC6 Q9UBN7 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC1 Q13547 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
LMNA P02545 4/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CASP3 P42574 1/20 0.61

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) TDP1POLBHTTHDAC6HDAC3
SCHEMBL9464627 0.87 POLB (0.88) TDP1POLBHTTHDAC6HDAC3
SCHEMBL11252751 0.87 HTT (0.78) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28774204 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL8401892 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL4025035 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL5442495 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL9464308 0.84 HTT (0.89) TDP1POLBHTTHDAC6HDAC3
SCHEMBL31174344 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL4025039 0.84 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423217-B Preparation method of conjugated eneyne compound 大连理工大学 2022-04-12 CN claimed
CN-108250141-B Tyrosine methyl ester modified N- (8-quinolyl) acetamide compound, and synthesis method and application thereof 华南师范大学 2021-04-20 CN claimed
CN-108358978-B Enhanced magnetic targeting cell fluorescence nano probe and preparation method thereof 四川农业大学 2020-09-08 CN claimed
CN-110423217-A A kind of preparation method of conjugated enynes compound UNIV DALIAN TECH 2019-11-08 CN claimed
CN-107522658-B Sour cyanines probe in a kind of symmetrical side in 1,3 based on amide groups quinoline and its preparation method and application 常州大学 2019-06-04 CN claimed
CN-108358978-A A kind of enhancement magnetic targeted cell fluorescence nano-probe and preparation method thereof 四川农业大学 2018-08-03 CN claimed
CN-108250141-A Methyl-P-tyrosine modifies N-(8- quinolyls)Acetamide compound, synthetic method and application 华南师范大学 2018-07-06 CN claimed
CN-107522658-A A kind of 1,3 symmetrical sour cyanines probes in side based on amide groups quinoline and its preparation method and application 常州大学 2017-12-29 CN claimed
CN-105038769-B Fluorescent probe based on 8-aminoquinoline derivative and synthetic method and application thereof 渤海大学 2017-01-18 CN claimed
CN-104031634-B A kind of ratio fluorescent nano probe and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2015-11-11 CN claimed
CN-102898461-A Method for preparing fluorescent and magnetic resonance dual-functional nanometer super-paramagnetic particles for detecting life system NANJING UNIVERSITY OF TECHNOLOGY 2013-01-30 CN claimed
CN-110423217-B Preparation method of conjugated eneyne compound 大连理工大学 2022-04-12 CN disclosed
CN-108250141-B Tyrosine methyl ester modified N- (8-quinolyl) acetamide compound, and synthesis method and application thereof 华南师范大学 2021-04-20 CN disclosed
CN-108358978-B Enhanced magnetic targeting cell fluorescence nano probe and preparation method thereof 四川农业大学 2020-09-08 CN disclosed
CN-108358978-B Enhanced magnetic targeting cell fluorescence nano probe and preparation method thereof 四川农业大学 2020-09-08 CN disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A TDP1 3448/4885POLB 2675/4885HTT 2557/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A TDP1 3484/4885POLB 2485/4885HTT 2259/4885

“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.