Sugi Predict

Sugi Predict / Compounds / SCHEMBL5774546

SCHEMBL5774546

SCHEMBL5774546

O=[C]N(c1ccccc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 5/20 0.41
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL6870779 0.82 LMNA (0.41) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL27418984 0.81 ALDH1A1 (0.40) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL8713624 0.79 SIGMAR1 (0.41) KMT2AALDH1A1POLBMEN1HSD17B10
SCHEMBL5775519 0.76 ALDH1A1 (0.40) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL4435307 0.75 LMNA (0.48) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL2712919 0.72 LMNA (0.45) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL27682606 0.72 LMNA (0.45) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL487497 0.72 MAPT (0.46) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL6870490 0.72 LMNA (0.45) KMT2AALDH1A1LMNAPOLBMAPK1
SCHEMBL28272326 0.72 LMNA (0.50) KMT2AALDH1A1LMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 — — US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 — — US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 — — EP disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 — — US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 — — EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 — — US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 — — EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 — — 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR KMT2A 3907/4885ALDH1A1 1045/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885ALDH1A1 682/4885LMNA 2605/4885

“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.