SCHEMBL1277121

SCHEMBL1277121

COc1cc(/C=C(\C)C(=O)NC(=N)N)c(-c2cccc(O)c2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NR1H4 Q96RI1 2/20 0.35
PELI1 Q96FA3 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
ERN1 O75460 1/20 0.34
RET P07949 1/20 0.34
TPH1 P17752 2/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
DPP4 P27487 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1277316 0.88 MGAM (0.39) ERN1HTT
SCHEMBL1277083 0.88 BAZ2B (0.36) FYNALDH1A1PELI1
SCHEMBL12709241 0.86 BAZ2B (0.34) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL1277257 0.85 BACE1 (0.36) ALDH1A1PELI1
SCHEMBL1277235 0.84 HPGDS (0.38) FYNPELI1KDM1AERN1
SCHEMBL1277362 0.84 HPGDS (0.37) FYNPELI1
SCHEMBL1277389 0.83 BAZ2B (0.38) PELI1
SCHEMBL1277441 0.83 SLC9A3 (0.38) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL1277251 0.83 SLC9A3 (0.38) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL1277243 0.82 DHODH (0.39) PELI1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
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 (2 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 FYN 3758/4885NPSR1 2155/4885MEN1 3725/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 FYN 3758/4885NPSR1 2155/4885MEN1 3725/4885

“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.