SCHEMBL3227832

SCHEMBL3227832

COC(=O)/C(=C\c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.42
AKR1C3 P42330 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3227838 1.00 MEN1 (0.51) MEN1KMT2AMAPTNPSR1HPGD
SCHEMBL13431366 1.00 MEN1 (0.51) MEN1KMT2AMAPTNPSR1HPGD
SCHEMBL13241270 0.93 MEN1 (0.58) MEN1KMT2AMAPTNPSR1HTT
SCHEMBL26080824 0.88 MEN1 (0.53) MEN1KMT2AMAPTNPSR1HTT
SCHEMBL77732 0.88 MEN1 (0.63) MEN1KMT2AMAPTNPSR1HPGD
SCHEMBL8747410 0.87 KMT2A (0.51) MEN1KMT2AMAPTHPGDHTT
SCHEMBL2409609 0.83 ABCG2 (0.47) MEN1KMT2AAKR1C3
SCHEMBL28178758 0.83 MEN1 (0.44) MEN1KMT2AAKR1C3
SCHEMBL6005632 0.82 MEN1 (0.58) MEN1KMT2AMAPTNPSR1HTT
SCHEMBL3430755 0.82 MEN1 (0.58) MEN1KMT2AMAPTNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (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-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 MEN1 2224/4885KMT2A 1129/4885MAPT 4436/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 MEN1 2224/4885KMT2A 1129/4885MAPT 4436/4885

“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.