SCHEMBL3203944

SCHEMBL3203944

CC(=O)NCCc1ccc(C(=O)c2ccc(CCNC(C)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
F13A1 P00488 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTGS1 P23219 1/20 0.59
BLM P54132 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL4701625 0.93 KDM4E (0.62) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10592850 0.90 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6329536 0.89 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6845394 0.89 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3523937 0.87 KDM4E (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4864495 0.85 KDM4E (0.66) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9201902 0.84 KMT2A (0.59) KDM4EF13A1SMN1; SMN2MAPTHDAC2
SCHEMBL28050734 0.84 NPC1 (0.59) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4704007 0.84 KDM4E (0.51) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10451965 0.84 KDM4E (0.64) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US claimed
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP claimed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO claimed
US-8530212-B2 Carbene precursor compound for producing an adhesive surface on a substrate ISIS INNOVATION LIMITED (GB) 2013-09-10 US disclosed
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US disclosed
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP disclosed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO disclosed
US-6979566-B2 Method of treatment of viral infection including HIV using water soluble fullerenes—III THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III FRIEDMAN SIMON H (US) 2004-03-04 US disclosed
US-6613771-B2 Prevent human retroviral reproduction, infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-02 US disclosed
US-20010041801-A1 Water soluble fullerenes with antiviral activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-15 US disclosed
US-6204391-B1 PREVENT REPRODUCTION OF HUMAN RETROVIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-03-20 US disclosed
WO-1995019949-A1 WATER SOLUBLE FULLERENES WITH ANTIVIRAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-07-27 WO 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-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III CD4, RPP30, CASP3 KDM4E 4226/4885F13A1 272/4885SMN1; SMN2 901/4885
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ITGB2, ITGA2B, ITGB1 KDM4E 2738/4885F13A1 647/4885SMN1; SMN2 2731/4885
US-20010041801-A1 Water soluble fullerenes with antiviral activity ZC3HAV1, RPL35, SARS1 KDM4E 4258/4885F13A1 2464/4885SMN1; SMN2 395/4885

“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.