SCHEMBL9893329

SCHEMBL9893329

O=C(O)CCN1C(=O)c2ccccc2C1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.52
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
FFAR1 O14842 1/20 0.43
WDR5 P61964 1/20 0.42
MDM2 Q00987 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
SCHEMBL18568866 0.82 GAA (0.68) ALDH1A1GAAL3MBTL1HPGDKDM4E
SCHEMBL8273732 0.79 ALDH1A1 (0.50) TOP1ALDH1A1GAAL3MBTL1HPGD
SCHEMBL8274847 0.78 MEN1 (0.55) ALDH1A1GAAL3MBTL1HTTTSHR
SCHEMBL18569320 0.78 GAA (0.56) ALDH1A1GAAL3MBTL1HPGDKDM4E
Ubisindine SCHEMBL191543 0.76 TSHR (0.62) ALDH1A1POLBGAAL3MBTL1HPGD
SCHEMBL18569319 0.73 GAA (0.44) ALDH1A1GAAL3MBTL1HPGDTSHR
Diethylamine SCHEMBL9667757 0.72 GAA (0.49) TOP1GAAL3MBTL1TSHRFFAR1
SCHEMBL3029406 0.72 MAPT (0.50) ALDH1A1POLBGAAL3MBTL1HTT
SCHEMBL3029407 0.72 MAPT (0.50) ALDH1A1POLBGAAL3MBTL1HTT
SCHEMBL8272076 0.72 TP53 (0.59) ALDH1A1GAAHTTTSHRMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149716-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR TREATMENT, PREVENTION AND MANAGEMENT OF TUBERCULOSIS CELGENE CORPORATION 2012-06-14 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-20120149716-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR TREATMENT, PREVENTION AND MANAGEMENT OF TUBERCULOSIS PDE4A, PDE4B, PDE4C TOP1 461/4885ALDH1A1 1159/4885POLB 913/4885

“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.