SCHEMBL20856365

SCHEMBL20856365

O=[N+]([O-])c1cc(Cl)cnc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ MAPT P10636 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ FGFR4 P22455 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ CHUK O15111 1/20 0.38

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
SCHEMBL12347458 0.83 ALDH1A1 (0.41) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL10272281 0.80 POLB (0.38) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL30598677 0.79 ALDH1A1 (0.40) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL31481286 0.79 ALDH1A1 (0.40) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL24557865 0.79 ALDH1A1 (0.40) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL2711056 0.77 TSHR (0.41) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL113455 0.76 MAPK1 (0.44) TSHRALDH1A1MAPK1AHRCHUK
SCHEMBL29445407 0.76 MAPK1 (0.44) TSHRALDH1A1MAPK1AHRCHUK
SCHEMBL17964135 0.75 HTT (0.43) TDP1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL16096096 0.74 PARP1 (0.45) TDP1TSHRCYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275719-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-15 — — US disclosed
EP-3947407-B1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2024-06-12 — — EP disclosed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 — — CN disclosed
EP-4267570-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2023-11-01 — — EP disclosed
CN-116710447-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-09-05 — — CN disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 — — WO disclosed
WO-2022144274-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-07-07 — — WO disclosed
WO-2022136365-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-06-30 — — WO disclosed
WO-2022136365-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-06-30 — — WO disclosed
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 — — US disclosed
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 — — US disclosed
EP-3947407-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2022-02-09 — — EP disclosed
CN-113727988-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2021-11-30 — — CN disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
WO-2020198266-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-01 — — WO disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 — — WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 — — 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 (3 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-12275719-B2 Small molecule inhibitors of galectin-3 LGALS3, LGALS1, LGALS3BP TDP1 1921/4885TSHR 1382/4885CYP3A4 4137/4885
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP TDP1 1921/4885TSHR 1382/4885CYP3A4 4137/4885
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP TDP1 1539/4885TSHR 1412/4885CYP3A4 4046/4885

“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.

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