SCHEMBL17487359

SCHEMBL17487359

CC(C)(C(O)c1ccc(CNc2nc3ccc(N)cc3[nH]2)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 2/20 0.43
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HDAC1 Q13547 1/20 0.38
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17487738 0.80 HDAC6 (0.50) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488204 0.79 RAB9A (0.53) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488199 0.76 RAB9A (0.56) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488091 0.75 RAB9A (0.49) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17487962 0.75 RAB9A (0.47) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488122 0.74 GRIN1 (0.52) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17488095 0.73 RAB9A (0.49) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17487313 0.71 HDAC6 (0.64) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL18965765 0.71 RAB9A (0.49) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL17487360 0.70 RAB9A (0.45) RAB9ASMN1; SMN2LMNAHTTGFER

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 RAB9A 3982/4885SMN1; SMN2 3381/4885LMNA 1905/4885

“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.