SCHEMBL3757247

SCHEMBL3757247

COCCNC(=NC#N)SC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 6/20 0.34
DDAH1 O94760 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MDM2 Q00987 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.30
NPC1 O15118 1/20 0.30
THRB P10828 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 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
SCHEMBL19287284 0.79 MCL1 (0.38) KDM4EALDH1A1
SCHEMBL11304952 0.79 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL11219200 0.78 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL9212814 0.78 MEN1 (0.34) MEN1KMT2A
SCHEMBL11478217 0.76 GRIN2D (0.35) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10890360 0.75 CA1 (0.36) KDM4EALDH1A1LMNAPOLB
SCHEMBL11538499 0.75 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL9262677 0.75 EPHX1 (0.38) ALDH1A1SMN1; SMN2HPGD
SCHEMBL3760053 0.75
SCHEMBL3760051 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 KDM4E 4532/4885ALDH1A1 3358/4885DDAH1 3826/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 KDM4E 4532/4885ALDH1A1 3358/4885DDAH1 3826/4885

“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.