Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292774

SCHEMBL4292774

SCHEMBL4292774

CCOC(=O)NCC1(O)CCCCC1n1cnc(C(=O)OCC)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ EED O75530 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4295333 0.90 ALDH1A1 (0.42) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4291274 0.89 EED (0.42) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4287431 0.88 ALDH1A1 (0.41) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4284599 0.88 ALDH1A1 (0.40) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4288780 0.87 ALDH1A1 (0.40) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL13705068 0.87 ALDH1A1 (0.39) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4285832 0.85 ALDH1A1 (0.45) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4289718 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4284853 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4281370 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885TSHR 3226/4885

“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.