SCHEMBL7896902

SCHEMBL7896902

CCOC(=O)C1CNCC1c1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TDP2 O95551 1/20 0.42
KDM1A O60341 2/20 0.42
KDM1B Q8NB78 1/20 0.42
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MC4R P32245 4/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 2/20 0.36
CHEK2 O96017 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8237011 0.85 KDM1A (0.49) TDP2KDM1AKDM1BUSP2MEN1
SCHEMBL17792959 0.85 KDM1A (0.49) TDP2KDM1AKDM1BUSP2MEN1
SCHEMBL8237012 0.85 KDM1A (0.49) TDP2KDM1AKDM1BUSP2MEN1
SCHEMBL2198604 0.80 MAPT (0.57) MAPTPKMMEN1KMT2AKCNH2
SCHEMBL2196466 0.80 MAPT (0.57) MAPTPKMMEN1KMT2AKCNH2
SCHEMBL2196504 0.80 MAPT (0.57) MAPTPKMMEN1KMT2AKCNH2
SCHEMBL17919040 0.80 MAPT (0.44) MAPTPKMMEN1KMT2APOLB
SCHEMBL8002377 0.80 MAPT (0.44) MAPTPKMMEN1KMT2APOLB
SCHEMBL31449994 0.79 MAPT (0.46) MAPTPKMMEN1KMT2APOLB
SCHEMBL31449814 0.78 MAPT (0.44) MAPTPKMKCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2113/4885TDP2 918/4885

“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.