SCHEMBL21931885

SCHEMBL21931885

CCOc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ SMARCA4 P51532 6/20 0.54
▸ PBRM1 Q86U86 3/20 0.54
▸ ALOX5 P09917 2/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NME2 P22392 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43

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
SCHEMBL21931886 1.00 RAB9A (0.62) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL25053623 0.96 RAB9A (0.62) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21993285 0.89 MEN1 (0.65) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL13977272 0.85 RAB9A (0.60) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21992770 0.84 SMARCA4 (0.60) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21992772 0.84 PBRM1 (0.60) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21992767 0.81 CCR3 (0.63) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21992968 0.80 SMARCA4 (0.57) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21992771 0.79 PBRM1 (0.64) RAB9ANPC1SMARCA4PBRM1ALOX5
SCHEMBL21993283 0.78 SMARCA4 (0.60) RAB9ANPC1SMARCA4PBRM1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — US claimed
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 165/4885SMARCA4 4569/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885SMARCA4 4569/4885

“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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