SCHEMBL2174000

SCHEMBL2174000

CCS(=O)(=O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.57
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 3/20 0.51
KMT2A Q03164 2/20 0.48
S100A9 P06702 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.44
PKM P14618 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44

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
SCHEMBL31647249 0.83 ALDH1A1 (0.52) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL2172819 0.81 ALDH1A1 (0.56) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL7677072 0.81 ALDH1A1 (0.65) ALDH1A1LMNAGAAMAPTNPSR1
SCHEMBL31454281 0.80 ALDH1A1 (0.72) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL516599 0.79 ALDH1A1 (0.57) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL517787 0.79 ALDH1A1 (0.57) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL2172648 0.79 ALDH1A1 (0.38) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL21633471 0.79 ALDH1A1 (0.38) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL2650456 0.78 ALDH1A1 (0.59) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL22718045 0.77 ALDH1A1 (0.58) ALDH1A1LMNAGAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 US disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 CN disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-9994581-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-06-12 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP disclosed
US-20170015673-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2017-01-19 US disclosed
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 WO disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
CN-102216265-A Naphthylacetic acid HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 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 (7 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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885LMNA 1293/4885GAA 1927/4885
US-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 ALDH1A1 746/4885LMNA 1698/4885GAA 671/4885
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR ALDH1A1 439/4885LMNA 4054/4885GAA 2854/4885
US-20170015673-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD8 ALDH1A1 2033/4885LMNA 1065/4885GAA 1443/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885LMNA 1293/4885GAA 1927/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885LMNA 1293/4885GAA 1927/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885LMNA 1293/4885GAA 1927/4885

“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.