SCHEMBL21993285

SCHEMBL21993285

CCOc1cc(/C=C2/CCn3c2nc(=O)c2ccccc23)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ POLB P06746 2/20 0.65
▸ SMARCA4 P51532 6/20 0.54
▸ PBRM1 Q86U86 3/20 0.54
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ ALOX5 P09917 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44

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
SCHEMBL13977272 0.89 RAB9A (0.60) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21931886 0.89 RAB9A (0.62) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21931885 0.89 RAB9A (0.62) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL25053623 0.89 RAB9A (0.62) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21931884 0.85 SMARCA4 (0.60) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21931879 0.85 SMARCA4 (0.60) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21992772 0.84 PBRM1 (0.60) MEN1KMT2APOLBSMARCA4PBRM1
SCHEMBL21992956 0.81 MEN1 (0.61) MEN1KMT2ASMARCA4PBRM1RAB9A
SCHEMBL21992771 0.79 PBRM1 (0.64) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21992770 0.78 SMARCA4 (0.60) MEN1KMT2ASMARCA4PBRM1RAB9A

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 MEN1 523/4885KMT2A 4754/4885POLB 4727/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 MEN1 523/4885KMT2A 4754/4885POLB 4727/4885

“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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