SCHEMBL3794871

SCHEMBL3794871

O=C(O)c1cccc(NCc2ccco2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
KDM6B O15054 1/20 0.60
KDM4A O75164 1/20 0.60
KDM5C P41229 1/20 0.60
KDM4D Q6B0I6 1/20 0.60
KDM4C Q9H3R0 1/20 0.60
ALDH1A1 P00352 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
HTR1A P08908 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
HSD11B1 P28845 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
SLC10A1 Q14973 1/20 0.52
CA9 Q16790 1/20 0.52
GPR35 Q9HC97 1/20 0.52
CISD1 Q9NZ45 1/20 0.52

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
SCHEMBL453628 0.87 KDM4E (0.68) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL3798020 0.86 KDM4E (0.45) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL3800594 0.85 KDM4E (0.54) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL3800591 0.80 KDM4E (0.60) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL2383057 0.79 TDP1 (0.41) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL2381185 0.79 POLB (0.47) ALDH1A1HPGDTDP1POLBSMN1; SMN2
SCHEMBL2385151 0.78 NPC1 (0.53) KDM4EALDH1A1CXCR2HPGDMAPT
SCHEMBL1742362 0.78 AURKA (0.56) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL28603982 0.76 KDM4E (0.62) KDM4EKDM6BKDM4AKDM5CKDM4D
SCHEMBL5053292 0.76 KDM4E (0.59) KDM4EKDM6BKDM4AKDM5CKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816393-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2010-10-19 US disclosed
US-7816393-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2010-10-19 US disclosed
US-7816393-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2010-10-19 US disclosed
US-20090291991-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE 2009-11-26 US disclosed
US-20090291991-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE 2009-11-26 US disclosed
US-20090291991-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE 2009-11-26 US disclosed
US-7569597-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2009-08-04 US disclosed
US-7569597-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2009-08-04 US disclosed
US-7569597-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2009-08-04 US disclosed
US-7405237-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2008-07-29 US disclosed
US-7405237-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2008-07-29 US disclosed
US-7405237-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2008-07-29 US disclosed
US-20080145336-A1 Isoindoline compounds and methods of their use CELGENE CORPORATION 2008-06-19 US disclosed
US-20080145336-A1 Isoindoline compounds and methods of their use CELGENE CORPORATION 2008-06-19 US disclosed
US-20080145336-A1 Isoindoline compounds and methods of their use CELGENE CORPORATION 2008-06-19 US disclosed
EP-1781610-A2 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2007-05-09 EP disclosed
WO-2006015060-A2 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2006-02-09 WO disclosed
US-20060025457-A1 Isoindoline compounds and methods of their use AMGEN INC. 2006-02-02 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-20080145336-A1 Isoindoline compounds and methods of their use PDE4A, PDE4B, PDE4C KDM4E 1911/4885KDM6B 1901/4885KDM4A 1440/4885
US-20090291991-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE PDE4A, PDE4B, PDE4C KDM4E 1911/4885KDM6B 1901/4885KDM4A 1440/4885
US-20060025457-A1 Isoindoline compounds and methods of their use PDE4A, PDE4B, PDE4C KDM4E 1911/4885KDM6B 1901/4885KDM4A 1440/4885

“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.