SCHEMBL1962348

SCHEMBL1962348

CN(C)CCOc1ccc(N)c(Oc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.65
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CACNA1B Q00975 1/20 0.46
ESR1 P03372 1/20 0.46
TNK2 Q07912 1/20 0.46
CSF1R P07333 2/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL1962418 0.82 ALDH1A1 (0.56) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL15994726 0.81 ALDH1A1 (0.59) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL1784325 0.81 KDM4E (0.53) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL30896344 0.80 LTA4H (0.52) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL11713528 0.78 LTA4H (0.58) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL1961553 0.78 KDM4E (0.48) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL110214 0.78 KEAP1 (0.56) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL1962192 0.78 CHRNB2 (0.59) LTA4HKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL11716054 0.77 HTR7 (0.49) LTA4HKDM4EALDH1A1SMN1; SMN2CSF1R
SCHEMBL5013387 0.76 MAOA (0.56) LTA4HALDH1A1SMN1; SMN2

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 11 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
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-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US 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
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US 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 LTA4H 1719/4885KDM4E 1501/4885ALDH1A1 1081/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 LTA4H 1719/4885KDM4E 1501/4885ALDH1A1 1081/4885

“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.