SCHEMBL146453

SCHEMBL146453

Cc1cc2c(F)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SLC9A1 P19634 4/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
GPR3 P46089 1/20 0.37
PLAU P00749 1/20 0.37
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL806604 0.80 PLAU (0.55) ALDH1A1SLC9A1POLBL3MBTL1GPR3
SCHEMBL147141 0.77 ALDH1A1 (0.50) ALDH1A1SLC9A1GPR3PLAUGAA
SCHEMBL12330261 0.77 PLAU (0.51) ALDH1A1SLC9A1POLBL3MBTL1SMN1; SMN2
SCHEMBL21444811 0.77 ALDH1A1 (0.50) ALDH1A1SLC9A1POLBL3MBTL1SMN1; SMN2
SCHEMBL6869758 0.77 ALDH1A1 (0.50) ALDH1A1SLC9A1GPR3PLAUMAPT
SCHEMBL17866234 0.77 CA2 (0.53) ALDH1A1SLC9A1POLBL3MBTL1SMN1; SMN2
SCHEMBL5504567 0.76 SLC9A1 (0.50) ALDH1A1SLC9A1POLBL3MBTL1SMN1; SMN2
SCHEMBL4416724 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1GPR3PLAUKDM4E
SCHEMBL2403651 0.76 SLC9A1 (0.45) ALDH1A1SLC9A1POLBL3MBTL1SMN1; SMN2
SCHEMBL27552551 0.74 ALDH1A1 (0.52) ALDH1A1SLC9A1POLBL3MBTL1SMN1; 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP claimed
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP claimed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP claimed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US claimed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 US claimed
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP claimed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 US claimed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO claimed
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2020-04-16 US disclosed
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2019-08-20 US disclosed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 US disclosed
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP disclosed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 US disclosed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO disclosed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO disclosed
EP-1768985-B1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS SOD CONSEILS RECH APPLIC (FR) 2008-01-23 EP 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 (5 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-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR ALDH1A1 4213/4885SLC9A1 3911/4885POLB 2035/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 ALDH1A1 873/4885SLC9A1 698/4885POLB 2137/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 ALDH1A1 1376/4885SLC9A1 2893/4885POLB 1146/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 ALDH1A1 1376/4885SLC9A1 2893/4885POLB 1146/4885
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 ALDH1A1 1450/4885SLC9A1 2996/4885POLB 1009/4885

“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.