SCHEMBL1964221

SCHEMBL1964221

CCOC(=O)c1cccc(Nc2ccc(OC)cc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
DHODH Q02127 1/20 0.48
CDC25B P30305 4/20 0.48
PDE4B Q07343 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL1963500 0.89 ATM (0.55) ALDH1A1TP53HTTLMNAMAPT
SCHEMBL1961347 0.88 AKR1C3 (0.57) SMN1; SMN2TP53HPGDHTTLMNA
SCHEMBL10834780 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TP53HPGDHTT
SCHEMBL1963433 0.86 AKR1C3 (0.62) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL1961719 0.85 CTSV (0.55) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL1962425 0.84 MAPT (0.48) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL1964167 0.84 DHODH (0.48) ALDH1A1TP53HPGDHTTLMNA
SCHEMBL1962162 0.84 CDC25B (0.46) ALDH1A1SMN1; SMN2TP53HPGDHTT
SCHEMBL28160317 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TP53HPGDHTT
SCHEMBL1964094 0.84 CDC25B (0.55) ALDH1A1SMN1; SMN2TP53HPGDHTT

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
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885SMN1; SMN2 1271/4885TP53 245/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885SMN1; SMN2 1271/4885TP53 245/4885

“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.