SCHEMBL6720480

SCHEMBL6720480

N=C(Nc1ccc(C2CCCCC2)cc1)Nc1ccc2cccc3c2c1C=C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DEGS1 O15121 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RY1 P47900 3/20 0.33
F9 P00740 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8424104 0.94 HDAC3 (0.33) HDAC3HDAC11HDAC8HDAC6
SCHEMBL6727607 0.83 HDAC3 (0.38) HDAC3HDAC11HDAC8HDAC6DEGS1
Hydrochloric Acid SCHEMBL8711917 0.82 HDAC3 (0.38) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL6720821 0.81 HDAC3 (0.34) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL6721231 0.81
SCHEMBL6155378 0.81 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10MAPT
SCHEMBL6722654 0.80 TRPV1 (0.41) ALDH1A1HPGDNPC1SMN1; SMN2MAPT
Bromide SCHEMBL6154601 0.79 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10MAPT
SCHEMBL6719777 0.78 RAB9A (0.38) ALDH1A1NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL6717179 0.77 TRPV1 (0.44) NPC1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242662-A1 Azinyl sulfonylimidazoles for use as microbicidal agents BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
US-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides WAGNER KLAUS (DE) 2004-06-24 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-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides PRMT1, GUCY1A1, GUCY1A2 HDAC3 1504/4885HDAC11 1908/4885HDAC8 4230/4885
US-20040242662-A1 Azinyl sulfonylimidazoles for use as microbicidal agents CBR1, MASTL, AZI2 HDAC3 1245/4885HDAC11 2147/4885HDAC8 2968/4885

“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.