SCHEMBL21992921

SCHEMBL21992921

COc1cc(/C=C2\CCn3c2nc(=O)c2ncccc23)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALOX5 P09917 2/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ JUN P05412 1/20 0.47
▸ MME P08473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ TUBB4A P04350 3/20 0.47
▸ TUBB P07437 3/20 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
SCHEMBL13977272 0.85 RAB9A (0.60) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL21993202 0.80 SMARCA4 (0.41) RAB9ANPC1MEN1KMT2A
SCHEMBL21993285 0.77 MEN1 (0.65) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL20704873 0.75 MEN1 (0.48) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL21931880 0.75 MEN1 (0.48) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL25053623 0.74 RAB9A (0.62) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL21931886 0.74 RAB9A (0.62) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL21931885 0.74 RAB9A (0.62) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL28378783 0.73 MEN1 (0.48) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL21931884 0.72 SMARCA4 (0.60) RAB9ANPC1ALOX5MEN1KMT2A

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 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885

“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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