SCHEMBL11992545

SCHEMBL11992545

COc1ccc(C(OCC2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(=O)CCCCCN2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12209383 1.00 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11992573 0.95 SLC6A11 (0.34) ALDH1A1CYP1A2CYP3A4MAPK1MEN1
SCHEMBL15369129 0.93 SLC6A1 (0.31) MEN1KMT2AHSD17B10SLC6A1SLC6A11
SCHEMBL9908649 0.92 SLC6A1 (0.32) MEN1KMT2AHSD17B10SLC6A1SLC6A11
SCHEMBL26302696 0.91 SLC6A11 (0.33) CYP1A2CYP3A4MAPTMEN1KMT2A
SCHEMBL11992564 0.90 SLC6A1 (0.33) SLC6A1SLC6A11
SCHEMBL16299839 0.89 SLC6A11 (0.35) CYP1A2CYP3A4MEN1KMT2ASLC6A1
SCHEMBL14643169 0.88 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30209522 0.88 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16938709 0.87 SLC6A1 (0.32) ALDH1A1SLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2012-08-23 US disclosed
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2012-08-23 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-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA ALDH1A1 2103/4885CYP1A2 4804/4885CYP3A4 4884/4885

“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.