SCHEMBL1277443

SCHEMBL1277443

C/C(=C\c1ccc(-c2ccc(O)cc2)cc1C)C(=O)NC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.33
SLC9A3 P48764 2/20 0.33
SLC9A1 P19634 1/20 0.33
ALOX5 P09917 1/20 0.32
MTOR P42345 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
EPRS1 P07814 1/20 0.30
HSD17B2 P37059 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ERN1 O75460 1/20 0.30
SULT1A1 P50225 1/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL1277297 0.88 HSD17B1 (0.44) HSD17B1SLC9A3SLC9A1ESR1ESR2
SCHEMBL1277392 0.88 HSD17B1 (0.36) HSD17B1SLC9A3SLC9A1ALOX5MEN1
SCHEMBL1277366 0.85 HSD17B1 (0.33) HSD17B1ALOX5MEN1KMT2AERN1
SCHEMBL12709258 0.84 HSD17B1 (0.35) HSD17B1SLC9A3SLC9A1MTOR
SCHEMBL1277438 0.83 SLC9A3 (0.40) HSD17B1SLC9A3SLC9A1MEN1KMT2A
SCHEMBL1277205 0.82 USP7 (0.33) HSD17B1
SCHEMBL1277194 0.82 CA1 (0.33) SLC9A3SLC9A1
SCHEMBL1277925 0.82 SLC9A3 (0.36) SLC9A3SLC9A1MEN1KMT2A
SCHEMBL1277288 0.81 ALDH1A1 (0.44) HSD17B1MEN1KMT2AESR1ESR2
SCHEMBL1277249 0.81 F10 (0.36) HSD17B1

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 HSD17B1 2621/4885SLC9A3 1/4885SLC9A1 4/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HSD17B1 2621/4885SLC9A3 1/4885SLC9A1 4/4885

“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.