SCHEMBL21992757

SCHEMBL21992757

O=C(Cc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.48
▸ PBRM1 Q86U86 3/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ NME2 P22392 1/20 0.39

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
SCHEMBL21993751 0.84 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2ANME2
SCHEMBL21992948 0.81 SMARCA4 (0.48) SMARCA4PBRM1MEN1KMT2ANME2
SCHEMBL21993749 0.81 SMARCA4 (0.48) SMARCA4PBRM1MEN1KMT2ANME2
SCHEMBL21992960 0.78 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2A
SCHEMBL21992771 0.78 PBRM1 (0.64) SMARCA4PBRM1
SCHEMBL21993752 0.77 SMARCA4 (0.56) SMARCA4PBRM1MEN1KMT2A
SCHEMBL21992747 0.76 SMARCA4 (0.58) SMARCA4PBRM1
SCHEMBL21993276 0.74 SMARCA4 (0.64) SMARCA4PBRM1MEN1KMT2A
SCHEMBL21931879 0.74 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2ANME2
SCHEMBL21931884 0.74 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2ANME2

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 4399/4885MEN1 523/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885MEN1 523/4885

“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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