SCHEMBL24557865

SCHEMBL24557865

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 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
SCHEMBL30598677 1.00 ALDH1A1 (0.40) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL20856365 0.79 TDP1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL31481286 0.79 ALDH1A1 (0.40) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL29175539 0.79 SMN1; SMN2 (0.36) HPGDHDAC3HDAC1HDAC2HDAC6
SCHEMBL16095369 0.77 ERN1 (0.39) ALDH1A1CYP3A4TSHRHIF1ATDP1
SCHEMBL16916752 0.76 CYP2C19 (0.36) ALDH1A1TSHRERN1POLBMEN1
SCHEMBL16916748 0.76 CYP2C19 (0.36) ALDH1A1TSHRERN1POLBMEN1
SCHEMBL6512051 0.76 ERN1 (0.41) ALDH1A1CYP3A4ERN1POLBMEN1
SCHEMBL202290 0.76 ERN1 (0.41) ALDH1A1CYP3A4ERN1POLBMEN1
SCHEMBL29600703 0.76 ERN1 (0.41) ALDH1A1CYP3A4ERN1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240309038-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-09-19 — — US disclosed
CN-117801276-B Polyimide film and preparation method thereof 中国科学院长春应用化学研究所 2024-05-17 — — CN disclosed
US-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-04-25 — — US disclosed
CN-117801276-A Polyimide film and preparation method thereof 中国科学院长春应用化学研究所 2024-04-02 — — CN 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
EP-4267568-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-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-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

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-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS3BP ALDH1A1 1546/4885HPGD 2334/4885CYP3A4 3862/4885
US-20240309038-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS3, LGALS1, LGALS3BP ALDH1A1 2401/4885HPGD 2794/4885CYP3A4 3689/4885

“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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