SCHEMBL12528528

SCHEMBL12528528

Clc1ccccc1-n1cccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MGLL Q99685 1/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
ADRB1 P08588 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4672464 0.80 DRD2 (0.47) GAAKDM4ELMNATSHRADRB1
SCHEMBL11166677 0.77 CYP1A2 (0.46) GAAKDM4ELMNATSHRMAPK1
SCHEMBL11611482 0.75 NOTUM (0.44) GAAKDM4EMGLLLMNATSHR
SCHEMBL870689 0.73 CYP3A4 (0.63) GAALMNATSHRMAPK1ALDH1A1
SCHEMBL24034719 0.72 MGLL (0.62) KDM4EMGLLLMNATSHRADRB1
SCHEMBL3453119 0.72 CYP1A2 (0.54) GAAKDM4ELMNAMAPK1ALDH1A1
SCHEMBL3453544 0.72 ALDH1A1 (0.74) GAAKDM4EMGLLLMNAALDH1A1
Hydrochloric Acid SCHEMBL3453812 0.71 CYP1A2 (0.53) GAAKDM4ELMNAMAPK1ALDH1A1
SCHEMBL28396664 0.70 ADRB1 (0.71) KDM4ELMNAADRB1ALDH1A1HTT
SCHEMBL950783 0.70 ALDH1A1 (0.42) LMNATSHRALDH1A1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216411-B One kind quaternary ammonium salt of Acetylated Chitosans containing ureas and its preparation method and application 中国科学院烟台海岸带研究所 2019-06-11 CN disclosed
CN-107216411-A A kind of quaternary ammonium salt of Acetylated Chitosans containing ureas and its preparation method and application 中国科学院烟台海岸带研究所 2017-09-29 CN disclosed
CN-106316975-A Amide compound and application thereof as TGR5 agonist 山东轩竹医药科技有限公司 2017-01-11 CN disclosed
CN-104311553-B Ortho position monochloro substituted compound and the synthetic method thereof of N-aryl azaindole SHANGHAI UNIVERSITY (CN) 2016-05-25 CN disclosed
CN-104961747-A Tetrahydrobenzo [ d ] [1,2,6] oxadinitrogen compound and preparation method thereof UNIV DALIAN TECH 2015-10-07 CN disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
CN-1065181-A WATER-DISPERSIBLE GRANULES AGRICULTURAL COMPOSITIONS MADE BY HEAT EXTRUSION DU PONT (US) 1992-10-14 CN disclosed
CN-1059713-A Novel two (oximino chlorine) derivatives as agricultural fungicides DU PONT (US) 1992-03-25 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 (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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 GAA 2045/4885KDM4E 1084/4885MGLL 2922/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT GAA 1258/4885KDM4E 2028/4885MGLL 1951/4885

“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.