SCHEMBL17487669

SCHEMBL17487669

Nc1ccc2nc(NCc3ccc(C(=O)C4CCCC4)cc3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
CHEK2 O96017 3/20 0.49
HDAC1 Q13547 1/20 0.47
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
GFER P55789 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 3/20 0.39

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 0.81 HDAC6 (0.64) HDAC6CHEK2HDAC1RAB9ASMN1; SMN2
SCHEMBL17487550 0.80 HDAC6 (0.54) HDAC6CHEK2HDAC1RAB9ASMN1; SMN2
SCHEMBL17487738 0.78 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17488088 0.76 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487950 0.76 HDAC6 (0.54) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487360 0.73 RAB9A (0.45) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL18965838 0.73 HDAC6 (0.47) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17488204 0.73 RAB9A (0.53) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17488012 0.73 HDAC1 (0.52) HDAC6HDAC1RAB9ASMN1; SMN2TP53
SCHEMBL17488275 0.72 CHEK2 (0.45) HDAC6CHEK2HDAC1RAB9ASMN1; SMN2

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 3954/4885CHEK2 3677/4885HDAC1 1530/4885

“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.