SCHEMBL1603759

SCHEMBL1603759

C/C(=C\c1c(C(=O)O)cccc1-c1ccccc1)C(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.41
DHODH Q02127 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
BCAT2 O15382 1/20 0.40
FABP4 P15090 2/20 0.39
F10 P00742 2/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MYC P01106 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1278001 0.81 F10 (0.41) F10PLAUPLATALDH1A1PRSS1
SCHEMBL1277250 0.79 F10 (0.37) F10ALDH1A1
SCHEMBL1277374 0.77 F10 (0.40) F10PRSS1PRSS2PRSS3
SCHEMBL1277336 0.76 F10 (0.38) F10MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1277231 0.76 F10 (0.39) DHODHTRPM8F10PLAUPLAT
SCHEMBL1277606 0.75 NR1H4 (0.41) DHODHFABP4F10FABP3FABP5
SCHEMBL1277376 0.74 F10 (0.35) DHODHTRPM8F10SMN1; SMN2ALDH1A1
SCHEMBL5426989 0.74 AKR1C3 (0.55) DHODHTRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL5426994 0.74 AKR1C3 (0.55) DHODHTRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL1277423 0.72 F10 (0.44) DHODHTRPM8F10SMN1; SMN2ALDH1A1

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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HNF4A 107/4885DHODH 3332/4885TRPM8 733/4885

“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.