SCHEMBL10063378

SCHEMBL10063378

C=C(C)C(=O)NCCCNC(=S)Nc1ccc(C2=C3C=CC(=O)C=C3OC3C=C(O)C=CC23)c(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.35
▸ ADORA3 P0DMS8 5/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ GSK3B P49841 4/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL19771793 0.90 KDM4C (0.35) KDM4CADORA3ADORA2AGSK3BHDAC1
SCHEMBL15004023 0.90 KDM4C (0.37) KDM4CADORA3ADORA2AGSK3BHDAC1
SCHEMBL25612307 0.89 HDAC6 (0.39) KDM4CADORA3ADORA2AGSK3BHDAC1
SCHEMBL12518496 0.89 KDM4C (0.40) KDM4CADORA3ADORA2AGSK3BHDAC1
SCHEMBL25612300 0.87 HDAC6 (0.40) KDM4CADORA3ADORA2AGSK3BHDAC1
SCHEMBL18625282 0.85 KDM4C (0.35) KDM4CCA12CA1CA2CA9
SCHEMBL16602269 0.85 KDM4C (0.32) KDM4C
SCHEMBL14367912 0.83 KDM4C (0.34) KDM4C
SCHEMBL10110874 0.81 KDM4C (0.31) KDM4C
SCHEMBL16522851 0.81 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867884-B2 Vascular delivery systems BEN-GURION UNIVERSITY OF NEGEV RESEARCH & DEVELOPMENT AUTHORITY (IL) 2018-01-16 — — US disclosed
EP-2274017-B1 E-SELECTIN SPECIFIC VASCULAR DELIVERY SYSTEMS UNIV BEN GURION (IL) 2016-04-13 — — EP disclosed
US-20150056157-A1 VASCULAR DELIVERY SYSTEMS BEN-GURION UNIVERSITY OF NEGEV RESEARCH & DEVELOPMENT AUTHORITY (IL) 2015-02-26 — — US disclosed
US-20150056157-A1 VASCULAR DELIVERY SYSTEMS BEN-GURION UNIVERSITY OF NEGEV RESEARCH & DEVELOPMENT AUTHORITY (IL) 2015-02-26 — — US disclosed
US-8840874-B2 Vascular delivery systems BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-09-23 — — US disclosed
US-8840874-B2 Vascular delivery systems BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-09-23 — — US disclosed
US-20120014904-A1 VASCULAR DELIVERY SYSTEMS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2012-01-19 — — US disclosed
US-20120014904-A1 VASCULAR DELIVERY SYSTEMS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2012-01-19 — — US disclosed
WO-2009133545-A2 VASCULAR DELIVERY SYSTEMS BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2009-11-05 — — 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 (2 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-20150056157-A1 VASCULAR DELIVERY SYSTEMS SELE, SELPLG, SELL KDM4C 3325/4885ADORA3 2419/4885ADORA2A 2974/4885
US-20120014904-A1 VASCULAR DELIVERY SYSTEMS SELE, SELPLG, SELL KDM4C 3325/4885ADORA3 2419/4885ADORA2A 2974/4885

“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.

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