SCHEMBL954293

SCHEMBL954293

CCOC(=O)C(Br)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 4/20 0.43

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
SCHEMBL14752128 0.88 CYP4F2 (0.47) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4375350 0.85 ALDH1A1 (0.51) TDP1POLBTHRBRECQLL3MBTL1
SCHEMBL4478897 0.85 JAK2 (0.43) TDP1L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL19560252 0.84 KMT2A (0.46) POLBMAPK1KDM4EMAPTHPGD
SCHEMBL13257643 0.82 TDP1 (0.47) TDP1POLBTHRBRECQLL3MBTL1
SCHEMBL14740031 0.82 TSHR (0.47) ALDH1A1HPGDTSHRCASP1KMT2A
SCHEMBL29488735 0.82 LMNA (0.53) RECQLALDH1A1KDM4EMAPTHPGD
SCHEMBL29488737 0.82 LMNA (0.53) RECQLALDH1A1KDM4EMAPTHPGD
SCHEMBL930838 0.82 LMNA (0.53) RECQLALDH1A1KDM4EMAPTHPGD
Bromide SCHEMBL930843 0.81 LMNA (0.52) RECQLALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 TDP1 2609/4885POLB 4355/4885THRB 839/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TDP1 2138/4885POLB 2653/4885THRB 1208/4885

“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.