Sugi Predict

Sugi Predict / Compounds / SCHEMBL5168043

SCHEMBL5168043

SCHEMBL5168043

CC(=O)OCc1ccc(-c2nc3cc(C)ccn3c2N(C(C)=O)C2CCCCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ GAA P10253 6/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ATM Q13315 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ GFER P55789 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL6752184 0.86 RAB9A (0.34) RAB9ANPC1PKMLMNA
SCHEMBL5166774 0.83 SLC2A1 (0.35) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL5166568 0.82 LMNA (0.33) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL6754043 0.81 ALOX5 (0.54) RAB9APKMALDH1A1LMNATSHR
SCHEMBL5164712 0.79 MAPT (0.44) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL5166991 0.76 ALDH1A1 (0.54) RAB9ANPC1PKMALDH1A1LMNA
Hydrochloric Acid SCHEMBL5166037 0.75 LMNA (0.45) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL5165767 0.74 GAA (0.56) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL5168630 0.74 ALDH1A1 (0.56) RAB9ANPC1PKMALDH1A1LMNA
SCHEMBL6645111 0.74 MAPT (0.46) RAB9ANPC1PKMALDH1A1LMNA

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 4 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-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 RAB9A 4697/4885NPC1 450/4885PKM 571/4885

“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.