SCHEMBL2957533

SCHEMBL2957533

Cc1ccnc(-c2nc3ccccc3s2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 5/20 0.63
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 2/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
CYP19A1 P11511 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL16404990 0.83 KDM4E (0.56) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2962773 0.81 MIF (0.68) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL14035856 0.78 RAB9A (0.69) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL221431 0.78 NPC1 (1.00) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12074968 0.77 RAB9A (0.58) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11650493 0.77 RAB9A (0.58) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28846275 0.77 RAB9A (0.67) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2139503 0.75 RAB9A (0.67) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11426677 0.75 RAB9A (0.60) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL17059020 0.75 KDM4E (0.64) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750157-B2 Luminescent compounds having a functionalized linker arm used in the bioconjugation and labeling of biomolecules UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2010-07-06 US disclosed
EP-1759204-B1 LUMINESCENT COMPOUNDS HAVING A FUNCTIONALISED LINKER ARM USED IN THE BIOCONJUGATION AND LABELLING OF BIOMOLECULES CAPUTO GIUSEPPE (IT) 2008-11-26 EP disclosed
US-20070231818-A1 Luminescent Compounds Having a Functionalized Linker Arm Used in the Bioconjugation and Labeling of Biomolecules UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2007-10-04 US disclosed
EP-1759204-A1 LUMINESCENT COMPOUNDS HAVING A FUNCTIONALISED LINKER ARM USED IN THE BIOCONJUGATION AND LABELLING OF BIOMOLECULES Caputo, Giuseppe (IT) 2007-03-07 EP disclosed
WO-2005119254-A1 LUMINESCENT COMPOUNDS HAVING A FUNCTIONALISED LINKER ARM USED IN THE BIOCONJUGATION AND LABELLING OF BIOMOLECULES CAPUTO GIUSEPPE (IT) 2005-12-15 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 (1 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-20070231818-A1 Luminescent Compounds Having a Functionalized Linker Arm Used in the Bioconjugation and Labeling of Biomolecules RNGTT, NCL, DUT KDM4E 3784/4885RAB9A 3868/4885ALDH1A1 3114/4885

“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.