SCHEMBL1964263

SCHEMBL1964263

COc1cc(OCCN2CCCC2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.59
POLB P06746 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
PSMB1 P20618 3/20 0.50
PSMB5 P28074 3/20 0.50
PSMB2 P49721 2/20 0.50
CYP3A4 P08684 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL1962645 0.99 LTA4H (0.58) LTA4HPOLBPTGS1PTGS2KDM4E
SCHEMBL21814294 0.93 HRH3 (0.56) POLBKDM4EALDH1A1HRH3
SCHEMBL1706927 0.92 HRH3 (0.58) POLBKDM4EALDH1A1HRH3
SCHEMBL3315480 0.90 DRD3 (0.52) LTA4HALDH1A1SMN1; SMN2CYP3A4DRD3
SCHEMBL2204177 0.90 MEN1 (0.52) LTA4HKDM4EALDH1A1HRH3CYP3A4
SCHEMBL10207620 0.89 LTA4H (0.56) LTA4HPOLBPTGS1PTGS2KDM4E
SCHEMBL29788588 0.88 ALDH1A1 (0.58) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL375708 0.88 ALDH1A1 (0.58) LTA4HKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL1911982 0.87 LTA4H (0.55) LTA4HPOLBPTGS1PTGS2KDM4E
SCHEMBL20060246 0.84 KDM4E (0.60) LTA4HPOLBKDM4EALDH1A1SMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
EP-3189051-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO 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
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
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 (3 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 1719/4885POLB 2934/4885PTGS1 1931/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 LTA4H 1719/4885POLB 2934/4885PTGS1 1931/4885
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, KRAS, AQP1 LTA4H 3969/4885POLB 925/4885PTGS1 1982/4885

“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.