SCHEMBL15925822

SCHEMBL15925822

CCc1cc(C)cc2c1Nc1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 1/20 0.43
PDK2 Q15119 2/20 0.42
MAPT P10636 5/20 0.42
GPR119 Q8TDV5 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.38
WNT3A P56704 1/20 0.38
ESRRB O95718 1/20 0.37
ESR1 P03372 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL15925825 0.93 MEN1 (0.43) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL9932966 0.88 PDK2 (0.40) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15875811 0.84 PDK2 (0.38) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15908927 0.84 PDK2 (0.38) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15948180 0.81 PDK2 (0.36) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15875921 0.80 MAPT (0.41) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15925816 0.80 ADRB1 (0.41) MEN1KMT2ACYP2C19MAPTALDH1A1
Iodide SCHEMBL9933682 0.80 GPR119 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL2590377 0.77 DDB1 (0.43) SMN1; SMN2MEN1KMT2ACYP2C19PDK2
SCHEMBL15875834 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ACYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170151253-A1 Compounds, Compositions, and Methods for Treating Alzheimer's Disease Prosetta Antiviral, Inc. 2017-06-01 US disclosed
US-9382221-B2 Compounds, compositions, and methods for treating alzheimer's disease PROSETTA ANTIVIRAL INC. (US) 2016-07-05 US disclosed
US-20140315897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING ALZHEIMER'S DISEASE Prosetta Antiviral, Inc. 2014-10-23 US disclosed
US-8796448-B1 Compounds, compositions, and methods for treating Alzheimer's disease PROSETTA ANTIVIRAL INC. (US) 2014-08-05 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-20170151253-A1 Compounds, Compositions, and Methods for Treating Alzheimer's Disease PSEN1, APP, PSEN2 SMN1; SMN2 786/4885MEN1 1540/4885KMT2A 257/4885
US-20140315897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN1, APP, PSEN2 SMN1; SMN2 786/4885MEN1 1540/4885KMT2A 257/4885

“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.