SCHEMBL17488168

SCHEMBL17488168

O=[N+]([O-])c1ccc2[nH]c(NCCc3ccc(F)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.55
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CNR2 P34972 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
NPBWR1 P48145 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42

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 0.88 RIPK1 (0.51) RIPK1CCNT1CDK9ACHENPC1
SCHEMBL18965905 0.80 CYP3A4 (0.47) CNR2
SCHEMBL5226878 0.80 RIPK1 (0.62) RIPK1CCNT1CDK9NPC1RAB9A
SCHEMBL6756970 0.76 IRAK4 (0.52) RIPK1CCNT1CDK9NPC1RAB9A
SCHEMBL17488032 0.76 RAB9A (0.67) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL17487306 0.75 HDAC6 (0.53) RIPK1CCNT1CDK9ACHENPC1
SCHEMBL5665602 0.74 RIPK1 (0.57) RIPK1CCNT1CDK9BCHENPC1
SCHEMBL19329541 0.73 RIPK1 (0.54) RIPK1CCNT1CDK9NPC1RAB9A
SCHEMBL3183535 0.73 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL31154137 0.73 TSHR (0.64) RIPK1CCNT1CDK9SMN1; SMN2MAPT

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 RIPK1 4614/4885CCNT1 940/4885CDK9 1457/4885

“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.