SCHEMBL21992963

SCHEMBL21992963

O=c1nc2n(c3c1SCC3)CC/C2=C\c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.42
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ MIF P14174 2/20 0.38
▸ STK17B O94768 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL21931879 0.76 SMARCA4 (0.60) NME2MEN1KMT2APOLBL3MBTL1
SCHEMBL21931884 0.76 SMARCA4 (0.60) NME2MEN1KMT2APOLBL3MBTL1
SCHEMBL11084474 0.69 KMT2A (0.61) NME2MEN1KMT2APOLBL3MBTL1
SCHEMBL11084471 0.69 KMT2A (0.61) NME2MEN1KMT2APOLBL3MBTL1
SCHEMBL21993197 0.69 MEN1 (0.40) NME2MEN1KMT2APOLBL3MBTL1
SCHEMBL28378783 0.67 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL21931880 0.66 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL20704873 0.66 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL13977272 0.65 RAB9A (0.60) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3196452 0.64 MGAM (0.73) MEN1KMT2APOLBTHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 — — US disclosed
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — US 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-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 NME2 1151/4885MEN1 523/4885KMT2A 4754/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 NME2 1151/4885MEN1 523/4885KMT2A 4754/4885

“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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