SCHEMBL17488002

SCHEMBL17488002

CCOC(c1ccc(CNc2nc3ccc(N)cc3[nH]2)cc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
METAP2 P50579 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL18965765 0.91 RAB9A (0.49) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487962 0.84 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL18965391 0.75 RAB9A (0.43) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487354 0.74 RAB9A (0.57) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487950 0.72 HDAC6 (0.54) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487364 0.72 RAB9A (0.47) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488204 0.70 RAB9A (0.53) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17488199 0.70 RAB9A (0.56) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487359 0.69 RAB9A (0.45) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL17487313 0.69 HDAC6 (0.64) 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.