SCHEMBL890994

SCHEMBL890994

NCCNC(=O)c1ccccc1N

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
HPGD P15428 7/20 0.62
KDM4E B2RXH2 7/20 0.62
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.54
RCE1 Q9Y256 1/20 0.51
HDAC3 O15379 2/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HDAC1 Q13547 1/20 0.48
NQO2 P16083 1/20 0.48
USP2 O75604 1/20 0.48
NSD2 O96028 1/20 0.47

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
SCHEMBL31267447 0.90 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL19297351 0.90 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL3861140 0.88 TSHR (0.60) HPGDSMN1; SMN2LMNAMAOBTSHR
SCHEMBL8515238 0.88 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL13578052 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL866062 0.87 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL8515277 0.86 HDAC3 (0.56) ALDH1A1HPGDKDM4EHDAC3HDAC1
SCHEMBL31267470 0.85 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL3688021 0.85 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL1204120 0.85 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240369544-A1 MULTIVALENT GLYCAN SCAFFOLDS AND METHODS OF USE THEREOF NOVAB, INC. 2024-11-07 US claimed
EP-4392777-A2 MULTIVALENT GLYCAN SCAFFOLDS AND METHODS OF USE THEREOF Novab, Inc. (US) 2024-07-03 EP claimed
WO-2023028549-A2 MULTIVALENT GLYCAN SCAFFOLDS AND METHODS OF USE THEREOF NOVAB, INC. (US) 2023-03-02 WO claimed
EP-2643340-B1 COMPOSITIONS AND METHODS FOR FUNCTIONAL GLYCOMICS UNIV EMORY (US) 2019-07-31 EP claimed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US claimed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO claimed
CN-101420942-A Small-molecule modulators of TRP-P8 activity DENDREON CORP (US) 2009-04-29 CN claimed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP claimed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US claimed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US claimed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO claimed
CN-121930290-A Efficient separation method of breast milk oligosaccharide and application of breast milk oligosaccharide in specific recognition of influenza A virus hemagglutinin protein 西北大学 2026-04-28 CN disclosed
US-20240369544-A1 MULTIVALENT GLYCAN SCAFFOLDS AND METHODS OF USE THEREOF NOVAB, INC. 2024-11-07 US disclosed
US-20240293553-A1 P-SELECTIN INHIBITORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-09-05 US disclosed
EP-4404971-A1 P-SELECTIN INHIBITORS AND USES THEREOF Beth Israel Deaconess Medical Center, Inc. (US) 2024-07-31 EP disclosed
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 EP disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 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 (4 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885HPGD 1644/4885KDM4E 3912/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885HPGD 1644/4885KDM4E 3912/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885HPGD 1644/4885KDM4E 3912/4885
US-20240293553-A1 P-SELECTIN INHIBITORS AND USES THEREOF SELP, SELPLG, SELE ALDH1A1 941/4885HPGD 659/4885KDM4E 4458/4885

“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.