SCHEMBL852553

SCHEMBL852553

COC(=O)c1cc(Cl)c(Cl)cc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ABL1 P00519 1/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
NR4A2 P43354 4/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL1953848 0.91 GAA (0.58) GAAABL1HTTMEN1LMNA
SCHEMBL6056935 0.89 ABL1 (0.46) GAAABL1LMNASMN1; SMN2CA12
SCHEMBL852879 0.83 GAA (0.51) GAAABL1HTTMEN1LMNA
SCHEMBL19328690 0.83 GAA (0.55) GAAABL1HTTMEN1LMNA
SCHEMBL70011 0.82 GAA (0.58) GAAABL1HTTMEN1LMNA
SCHEMBL7656107 0.82 ALDH1A1 (0.42) HTTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL31218239 0.80 GAA (0.45) GAAABL1HTTMEN1LMNA
SCHEMBL11323163 0.80 GAA (0.66) GAAHTTMEN1LMNAKMT2A
SCHEMBL16662001 0.79 GAA (0.51) GAAABL1HTTMEN1LMNA
SCHEMBL13880427 0.79 GAA (0.51) GAAABL1HTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
CN-102712643-A Modulators of 5-HT receptors and methods of use thereof ABBOTT LAB 2012-10-03 CN disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GAA 4715/4885ABL1 3875/4885HTT 563/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GAA 4715/4885ABL1 3875/4885HTT 563/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GAA 4715/4885ABL1 3875/4885HTT 563/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GAA 4715/4885ABL1 3875/4885HTT 563/4885

“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.