SCHEMBL4391646

SCHEMBL4391646

O=C(Nc1ccc(O)cc1)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
GAA P10253 1/20 0.66
CA12 O43570 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
CA1 P00915 3/20 0.59
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TGM2 P21980 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL11925392 0.85 KMT2A (0.71) POLBGAACYP1A2CYP2D6RAB9A
SCHEMBL2054569 0.85 KMT2A (0.71) POLBGAACA12CA2CA9
SCHEMBL12995570 0.85 POLB (0.69) POLBGAACYP1A2CYP2D6RAB9A
SCHEMBL698365 0.85 NPC1 (0.71) POLBGAACYP1A2CYP2D6RAB9A
SCHEMBL656477 0.85 RAB9A (0.71) POLBGAACYP1A2CYP2D6RAB9A
SCHEMBL654537 0.85 POLB (0.69) POLBGAACA12CA2CA9
SCHEMBL656655 0.84 POLB (0.97) POLBGAAME2ME1ME3
Hydrochloric Acid SCHEMBL3851668 0.83 POLB (1.00) POLBGAAME2ME1ME3
SCHEMBL7504156 0.83 POLB (0.93) POLBGAAME2ME1ME3
SCHEMBL8776646 0.82 GAA (0.54) POLBGAACA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
EP-4149939-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-22 EP disclosed
CN-115551850-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
WO-2021231243-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-18 WO disclosed
WO-2021231243-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-18 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP POLB 4825/4885GAA 173/4885CA12 227/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 POLB 821/4885GAA 566/4885CA12 1412/4885

“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.