SCHEMBL1277229

SCHEMBL1277229

C/C(=C\c1ccccc1-c1cccc(C(=O)NO)c1)C(=O)NC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.45
HDAC6 Q9UBN7 8/20 0.38
HDAC1 Q13547 4/20 0.38
KDM1A O60341 1/20 0.38
F10 P00742 2/20 0.38
PARP1 P09874 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 2/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
MAPT P10636 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 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
SCHEMBL1277529 0.90 BAZ2B (0.44) F10PARP1BAZ2BBAZ2A
SCHEMBL1277360 0.90 F10 (0.40) F10PARP1NR1H4HDAC2F2
SCHEMBL1277606 0.89 NR1H4 (0.41) F10NR1H4PRSS1BAZ2BBAZ2A
SCHEMBL1277762 0.87 ERN1 (0.42) F10
SCHEMBL1277389 0.84 BAZ2B (0.38) F10BAZ2BBAZ2A
SCHEMBL1277284 0.81 KMT2A (0.35) F10KDM4EKMT2A
SCHEMBL1277281 0.81 APP (0.43) HDAC1F10KDM4EF2PRSS1
SCHEMBL1277262 0.80 ADRA2C (0.39) F10
SCHEMBL1277160 0.80 SMN1; SMN2 (0.41) F10HDAC2PRSS1MAPTKMT2A
SCHEMBL1277454 0.79 MKNK1 (0.40) F10PARP1F2PRSS1MAPT

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 HDAC8 730/4885HDAC6 322/4885HDAC1 638/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HDAC8 730/4885HDAC6 322/4885HDAC1 638/4885

“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.