SCHEMBL17487550

SCHEMBL17487550

Nc1ccc2nc(NCc3ccc(C(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.49
VNN1 O95497 2/20 0.48
CHEK2 O96017 4/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
SNCA P37840 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL17487313 0.90 HDAC6 (0.64) HDAC6HDAC1VNN1CHEK2RAB9A
SCHEMBL17488012 0.85 HDAC1 (0.52) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL17487684 0.84 RAB9A (0.53) HDAC6CHEK2RAB9ASMN1; SMN2TP53
SCHEMBL17488088 0.83 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL17487950 0.82 HDAC6 (0.54) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL18965838 0.80 HDAC6 (0.47) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL17487669 0.80 HDAC6 (0.51) HDAC6HDAC1CHEK2RAB9ASMN1; SMN2
SCHEMBL17487738 0.79 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL17487837 0.78 RAB9A (0.48) HDAC6CHEK2RAB9ASMN1; SMN2TP53
SCHEMBL17488141 0.77 RAB9A (0.43) HDAC6HDAC1RAB9ASMN1; SMN2TP53

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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 (1 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 HDAC6 3954/4885HDAC1 1530/4885VNN1 1548/4885

“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.