SCHEMBL17487950

SCHEMBL17487950

Nc1ccc2nc(NCc3ccc(C(=O)c4ccccn4)cc3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.50
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
HIF1A Q16665 2/20 0.47
GFER P55789 1/20 0.47
TP53 P04637 3/20 0.44
ABL1 P00519 4/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
METAP2 P50579 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 1/20 0.42

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 0.87 HDAC6 (0.64) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17488088 0.83 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487550 0.82 HDAC6 (0.54) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL18965838 0.80 HDAC6 (0.47) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487962 0.78 RAB9A (0.47) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487354 0.76 RAB9A (0.57) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487669 0.76 HDAC6 (0.51) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487364 0.76 RAB9A (0.47) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL17487738 0.75 HDAC6 (0.50) HDAC6HDAC1RAB9ASMN1; SMN2LMNA
SCHEMBL18965765 0.74 RAB9A (0.49) HDAC6HDAC1RAB9ASMN1; SMN2LMNA

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 1530/4885RAB9A 3982/4885

“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.