SCHEMBL16748713

SCHEMBL16748713

CCCNC(=O)c1nc(N)c(C(=O)NCCN)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.41
GABRB3 P28472 9/20 0.41
GABRA2 P47869 9/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
MAOB P27338 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRA1 P14867 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
MMP1 P03956 1/20 0.36

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
SCHEMBL15185777 0.93 KDM4E (0.43) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL2634478 0.91 KDM4E (0.44) KDM4EALDH1A1HSD17B10L3MBTL1MAOB
Hydrochloric Acid SCHEMBL2634079 0.89 KMT2A (0.44) KDM4EALDH1A1HSD17B10L3MBTL1MAOB
SCHEMBL15185775 0.85 CA12 (0.44) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL9608994 0.83 KDM4E (0.43) KDM4EALDH1A1HSD17B10L3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL30286292 0.81 CSNK1D (0.43) KDM4EALDH1A1HSD17B10L3MBTL1MAOB
SCHEMBL16541800 0.80 SCNN1A (0.53) KDM4EALDH1A1HSD17B10CYP1A2TSHR
SCHEMBL1429031 0.78 SCNN1A (0.50) KDM4EALDH1A1HSD17B10MAOBCYP1A2
SCHEMBL12516426 0.78 KDM4E (0.38) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL13510973 0.77 TDP1 (0.41) ALDH1A1L3MBTL1MAOBKMT2AMEN1

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-20150147277-A1 COMPOSITIONS AND METHODS FOR ASSESSING GUT FUNCTION MEDIBEACON INC. 2015-05-28 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-20150147277-A1 COMPOSITIONS AND METHODS FOR ASSESSING GUT FUNCTION FABP2, SLC10A2, SI GABRG2 2750/4885GABRB3 3254/4885GABRA2 3225/4885

“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.