SCHEMBL19150657

SCHEMBL19150657

CCNCCCNC(=O)CCCNC(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.42
FAAH O00519 4/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.40
GLA P06280 1/20 0.40
NAAA Q02083 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
DNM1 Q05193 1/20 0.39
CYP1A2 P05177 1/20 0.39
EPHX2 P34913 2/20 0.38
CNR1 P21554 1/20 0.37
EPHX1 P07099 2/20 0.37

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
SCHEMBL6287219 0.89 CYP2C19 (0.50) TSHRMEN1KMT2ACYP2C19GLA
SCHEMBL6290152 0.85 EPHX1 (0.50) TSHRMEN1KMT2ACYP2C19GLA
SCHEMBL6290120 0.83 EPHX1 (0.54) MEN1KMT2ACYP2C19GLAKEAP1
SCHEMBL18134840 0.80 CASP2 (0.64) CASP2FAAHTSHRMEN1KMT2A
SCHEMBL6902756 0.79 CYP2C19 (0.46) FAAHTSHRMEN1KMT2ACYP2C19
SCHEMBL29286451 0.79 FAAH (0.66) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6125853 0.79 CASP2 (0.69) CASP2FAAHNAAADNM1EPHX2
SCHEMBL12635103 0.78 CNR1 (0.51) FAAHMEN1KMT2ANAAACNR1
SCHEMBL25792485 0.78 CASP2 (0.41) CASP2FAAHTSHRMEN1KMT2A
SCHEMBL6280459 0.77 MAPT (0.43) TSHRKEAP1NFE2L2EPHX2EPHX1

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-20170202217-A1 ANTIBACTERIAL POLYMER, PRODUCTION METHOD THEREFOR, AND USAGE THEREOF NATIONAL UNIVERSITY CORPORATION YAMAGATA UNIVERSITY (JP) 2017-07-20 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-20170202217-A1 ANTIBACTERIAL POLYMER, PRODUCTION METHOD THEREFOR, AND USAGE THEREOF WASF2, HASPIN, MRPL21 CASP2 1579/4885FAAH 3983/4885TSHR 3953/4885

“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.