SCHEMBL17487326

SCHEMBL17487326

c1ccc(Oc2ccc(CNc3nc4cc(NC5COC5)ccc4[nH]3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HIF1A Q16665 1/20 0.41
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GAA P10253 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
CACNA1B Q00975 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL17488196 0.93 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487541 0.91 RAB9A (0.39) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17488203 0.89 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487913 0.89 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487676 0.84 CYP3A4 (0.36) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487996 0.83 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17488108 0.83 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487495 0.81 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17488124 0.80 RAB9A (0.42) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17488219 0.80 RAB9A (0.52) RAB9ASMN1; SMN2TP53LMNAMEN1

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 3381/4885TP53 2004/4885

“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.