SCHEMBL19002492

SCHEMBL19002492

CCCC(=O)NCc1ccc(OC)nc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.51
NAMPT P43490 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 1/20 0.47
FAAH O00519 1/20 0.47
EPHX2 P34913 1/20 0.47
CHRM4 P08173 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5008474 0.88 NAMPT (0.52) MLLT1NAMPTADORA2ACHRM4KDM4E
Hydrochloric Acid SCHEMBL5012099 0.87 NAMPT (0.51) MLLT1NAMPTADORA2ACHRM4KDM4E
SCHEMBL19002497 0.83 HPGD (0.56) MLLT1NAMPTADORA2ACHRM4KDM4E
SCHEMBL13732315 0.82 NAMPT (0.57) MLLT1NAMPTCYP3A4CYP2C19L3MBTL1
SCHEMBL1685921 0.82 MLLT1 (0.55) MLLT1NAMPTADORA2ACHRM4KDM4E
SCHEMBL19002500 0.81 CYP3A4 (0.51) CYP3A4CYP2C19L3MBTL1FAAHEPHX2
SCHEMBL27596803 0.81 NAMPT (0.53) MLLT1NAMPTCYP2C19ADORA2ACHRM4
SCHEMBL23847789 0.79 NAMPT (0.58) MLLT1NAMPTADORA2ACHRM4KDM4E
SCHEMBL19002539 0.79 EPHX2 (0.49) CYP3A4CYP2C19L3MBTL1EPHX2
SCHEMBL19318506 0.78 ADORA2A (0.51) MLLT1NAMPTADORA2ACHRM4KDM4E

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MLLT1 1240/4885NAMPT 440/4885CYP3A4 4589/4885

“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.