SCHEMBL1277441

SCHEMBL1277441

C/C(=C\c1cc(C)ccc1-c1cccc(O)c1)C(=O)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 2/20 0.38
SLC9A1 P19634 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35
ESR2 Q92731 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
HPGDS O60760 5/20 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
SCHEMBL1277257 0.92 BACE1 (0.36) ALDH1A1BAZ2BBAZ2AHPGDSGRK2
SCHEMBL1277251 0.91 SLC9A3 (0.38) SLC9A3SLC9A1MAOAMAOBMAPT
SCHEMBL1277235 0.91 HPGDS (0.38) BAZ2BBAZ2AHPGDSGRK2AKR1C3
SCHEMBL12709241 0.88 BAZ2B (0.34) MAOAMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL1277389 0.87 BAZ2B (0.38) BAZ2BBAZ2AHPGDSGRK2HSD17B1
SCHEMBL1277083 0.87 BAZ2B (0.36) ALDH1A1BAZ2BBAZ2AHPGDSGRK2
SCHEMBL1277362 0.84 HPGDS (0.37) BAZ2BBAZ2AHPGDSGRK2HSD17B1
SCHEMBL1277410 0.83 HSD17B1 (0.34) MAPTRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1277121 0.83 FYN (0.40) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL1277250 0.82 F10 (0.37) MAPTALDH1A1BAZ2BBAZ2AHPGDS

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 6 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
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 SLC9A3 1/4885SLC9A1 4/4885MAOA 2609/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 SLC9A3 1/4885SLC9A1 4/4885MAOA 2609/4885

“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.