SCHEMBL21993283

SCHEMBL21993283

COc1ccc2ccccc2c1/C=C1\CCn2c1nc(=O)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.60
▸ PBRM1 Q86U86 4/20 0.57
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALOX5 P09917 2/20 0.49
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 0.41
▸ TUBA3C P0DPH7 3/20 0.41
▸ TUBA1B P68363 3/20 0.41
▸ TUBA4A P68366 3/20 0.41
▸ TUBB4B P68371 3/20 0.41
▸ TUBB3 Q13509 3/20 0.41

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
SCHEMBL21992770 0.81 SMARCA4 (0.60) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21993209 0.79 SMARCA4 (0.58) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21992767 0.79 CCR3 (0.63) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL13977272 0.78 RAB9A (0.60) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL25053623 0.78 RAB9A (0.62) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21931885 0.78 RAB9A (0.62) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21931886 0.78 RAB9A (0.62) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL21992968 0.77 SMARCA4 (0.57) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL22794541 0.76 SMARCA4 (1.00) SMARCA4PBRM1RAB9ANPC1ALOX5
SCHEMBL22794543 0.73 SMARCA4 (0.72) SMARCA4PBRM1MEN1KMT2AMAPT

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 SMARCA4 4569/4885PBRM1 4399/4885RAB9A 2948/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885RAB9A 2948/4885

“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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