SCHEMBL17487306

SCHEMBL17487306

O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-c4ccccc4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
NPBWR1 P48145 2/20 0.51
RIPK1 Q13546 4/20 0.50
ACHE P22303 2/20 0.47
EGFR P00533 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL17488031 0.86 RIPK1 (0.51) RAB9ASMN1; SMN2TP53RIPK1ACHE
SCHEMBL17487385 0.80 RAB9A (0.58) HDAC6RAB9ASMN1; SMN2TP53MAPT
SCHEMBL15416993 0.79 RAB9A (0.82) HDAC6RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2025299 0.78 RAB9A (0.63) RAB9ASMN1; SMN2TP53RIPK1CCNT1
SCHEMBL6756970 0.76 IRAK4 (0.52) RAB9ASMN1; SMN2TP53RIPK1EGFR
SCHEMBL17488168 0.75 RIPK1 (0.55) RAB9ASMN1; SMN2TP53NPBWR1RIPK1
SCHEMBL2308775 0.75 NPBWR1 (0.79) RAB9ASMN1; SMN2NPBWR1MAPTNPC1
SCHEMBL6757771 0.75 TP53 (0.57) RAB9ASMN1; SMN2TP53RIPK1EGFR
SCHEMBL4057795 0.74 RIPK1 (0.51) RAB9ASMN1; SMN2TP53NPBWR1RIPK1
SCHEMBL19329541 0.73 RIPK1 (0.54) RAB9ASMN1; SMN2RIPK1CCNT1CDK9

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 HDAC6 3954/4885RAB9A 3982/4885SMN1; SMN2 3381/4885

“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.