SCHEMBL17487952

SCHEMBL17487952

Nc1ccc2[nH]c(NCc3ccc(Oc4ccc(Cl)nc4)cc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HDAC1 Q13547 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GFER P55789 2/20 0.36
HIF1A Q16665 1/20 0.36
HPSE Q9Y251 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
RPS6KA3 P51812 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
SCHEMBL17488111 0.92 RAB9A (0.48) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487331 0.88 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487321 0.85 RAB9A (0.42) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487328 0.85 RAB9A (0.54) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487957 0.84 CYP3A4 (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488216 0.84 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488211 0.83 RAB9A (0.43) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488182 0.83 S1PR2 (0.38) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487916 0.82 CHEK2 (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488059 0.81 TEC (0.45) RAB9ASMN1; SMN2TP53NPC1

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.