SCHEMBL17488199

SCHEMBL17488199

CC(C)(C)Oc1ccc(CNc2nc3ccc(N)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
HIF1A Q16665 1/20 0.50
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 2/20 0.42
POLB P06746 1/20 0.42
HPSE Q9Y251 1/20 0.41
GAA P10253 1/20 0.41
GSK3B P49841 3/20 0.40
FABP4 P15090 1/20 0.40
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CHEK2 O96017 1/20 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
SCHEMBL17488122 0.85 GRIN1 (0.52) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488204 0.84 RAB9A (0.53) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487684 0.81 RAB9A (0.53) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488095 0.80 RAB9A (0.49) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488091 0.80 RAB9A (0.49) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487354 0.80 RAB9A (0.57) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487327 0.79 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488017 0.78 RAB9A (0.50) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488040 0.78 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488111 0.77 RAB9A (0.48) RAB9ASMN1; SMN2TP53LMNAHTT

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.