SCHEMBL2198604

SCHEMBL2198604

CCOC(=O)C1CNCC1c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
PKM P14618 1/20 0.57
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
FPR2 P25090 1/20 0.41
KCNH2 Q12809 1/20 0.40
ROCK2 O75116 1/20 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
SCHEMBL2196466 1.00 MAPT (0.57) MAPTPKMHTTTSHRALDH1A1
SCHEMBL2196504 1.00 MAPT (0.57) MAPTPKMHTTTSHRALDH1A1
SCHEMBL7896524 0.86 MAPT (0.57) MAPTPKMHTTTSHRALDH1A1
SCHEMBL7902645 0.86 MAPT (0.57) MAPTPKMHTTTSHRALDH1A1
SCHEMBL3552839 0.86 MAPT (0.76) MAPTPKMHTTTSHRALDH1A1
SCHEMBL7887174 0.86 MAPT (0.76) MAPTPKMHTTTSHRALDH1A1
SCHEMBL26818738 0.86 MAPT (0.76) MAPTPKMHTTTSHRALDH1A1
Hydrochloric Acid SCHEMBL5839304 0.84 MAPT (0.78) MAPTPKMHTTTSHRALDH1A1
SCHEMBL7182 0.82 TSHR (0.48) MAPTPKMHTTTSHRALDH1A1
SCHEMBL1000358 0.82 TSHR (0.48) MAPTPKMHTTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 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 (1 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-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 MAPT 2088/4885PKM 2113/4885HTT 3165/4885

“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.