SCHEMBL5166774

SCHEMBL5166774

CC(=O)N(c1c(-c2ccc([N+](=O)[O-])o2)nc2cc(C)ccn12)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
CASP6 P55212 1/20 0.35
ATM Q13315 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 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
SCHEMBL5166990 0.86 RAB9A (0.35) SLC2A1RAB9ANPC1PKMCASP6
SCHEMBL5168043 0.83 RAB9A (0.35) RAB9ANPC1PKMATMALDH1A1
SCHEMBL5164712 0.81 MAPT (0.44) RAB9ANPC1PKMATMALDH1A1
SCHEMBL5168439 0.81 GAA (0.39) SLC2A1RAB9ANPC1ALDH1A1LMNA
SCHEMBL5166991 0.78 ALDH1A1 (0.54) RAB9ANPC1PKMATMALDH1A1
SCHEMBL5165626 0.77 ALOX5 (0.59) RAB9APKMATMALDH1A1LMNA
Hydrochloric Acid SCHEMBL5166037 0.76 LMNA (0.45) RAB9ANPC1PKMATMALDH1A1
SCHEMBL5168630 0.75 ALDH1A1 (0.56) RAB9ANPC1PKMATMALDH1A1
SCHEMBL5165767 0.75 GAA (0.56) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL6645111 0.75 MAPT (0.46) RAB9ANPC1PKMATMALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 SLC2A1 836/4885RAB9A 4697/4885NPC1 450/4885

“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.