SCHEMBL1277154

SCHEMBL1277154

C/C(=C\c1ccccc1-c1ccc(Cl)cc1)C(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
F10 P00742 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP2C19 P33261 1/20 0.36
APEX1 P27695 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 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
SCHEMBL1277277 0.89 BACE1 (0.40) F10APEX1DHODH
SCHEMBL1277160 0.89 SMN1; SMN2 (0.41) F10NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1277454 0.88 MKNK1 (0.40) F10CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL1277875 0.88 F10 (0.44) F10
SCHEMBL1277412 0.86 F10 (0.37) F10APEX1NPC1RAB9ASMN1; SMN2
SCHEMBL1277231 0.86 F10 (0.39) F10NPC1RAB9ASMN1; SMN2DHODH
SCHEMBL1708738 0.85 F10 (0.36) F10APEX1
SCHEMBL1277466 0.85 FGFR1 (0.41) F10HSP90AA1HSP90AB1FGFR1SRC
SCHEMBL1277453 0.84 PTPN1 (0.43) SLC6A4SLC6A3F10HSP90AA1NPC1
SCHEMBL1277281 0.84 APP (0.43) F10PTGER1PTGER3PTGER2KDM4E

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 SLC6A4 70/4885SLC6A3 23/4885F10 4727/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 SLC6A4 70/4885SLC6A3 23/4885F10 4727/4885

“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.