SCHEMBL17035833

SCHEMBL17035833

CCCCCCCNC(=O)c1ccc(NN=C(C)C)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NAAA Q02083 2/20 0.51
HCAR3 P49019 3/20 0.51
MLYCD O95822 1/20 0.51
EPHX2 P34913 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 3/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CNR1 P21554 1/20 0.43
MAPK14 Q16539 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL10014111 0.99 HCAR3 (0.52) L3MBTL1NAAAHCAR3MLYCDEPHX2
SCHEMBL13349240 0.90 POLB (0.48) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL18726788 0.89 POLB (0.49) HCAR3KDM4EMAPTNPC1RAB9A
SCHEMBL14181983 0.87 HDAC1 (0.46) KDM4E
SCHEMBL16688448 0.87 MAPK1 (0.55) HCAR3CA2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL16710823 0.86 KDM4E (0.47) EPHX2KDM4EMAPTNPC1RAB9A
SCHEMBL12589232 0.86 KDM4E (0.50) EPHX2KDM4EALDH1A1MAPTKMT2A
SCHEMBL23253692 0.84 HCAR3 (0.47) HCAR3
SCHEMBL14000513 0.84 KDM4E (0.43) L3MBTL1HCAR3EPHX2KDM4EALDH1A1
SCHEMBL21914998 0.83 KIT (0.41) HCAR3MLYCDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 US 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-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES STT3B, STT3A, DDOST L3MBTL1 1874/4885NAAA 449/4885HCAR3 1958/4885

“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.