SCHEMBL21992956

SCHEMBL21992956

O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SMARCA4 P51532 6/20 0.60
▸ PBRM1 Q86U86 4/20 0.60
▸ ALOX5 P09917 2/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ TUBB4A P04350 3/20 0.42
▸ TUBB P07437 3/20 0.42
▸ TUBA3C P0DPH7 3/20 0.42
▸ TUBA1B P68363 3/20 0.42

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
SCHEMBL21931879 0.86 SMARCA4 (0.60) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21931884 0.86 SMARCA4 (0.60) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21992968 0.86 SMARCA4 (0.57) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL13977272 0.83 RAB9A (0.60) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21993751 0.82 SMARCA4 (0.60) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21993285 0.81 MEN1 (0.65) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21993276 0.80 SMARCA4 (0.64) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21992767 0.80 CCR3 (0.63) SMARCA4PBRM1ALOX5NPC1RAB9A
SCHEMBL21992770 0.79 SMARCA4 (0.60) MEN1KMT2ASMARCA4PBRM1ALOX5
SCHEMBL21992768 0.79 SMARCA4 (0.57) MEN1KMT2ASMARCA4PBRM1NPC1

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 4754/4885SMARCA4 4569/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 MEN1 523/4885KMT2A 4754/4885SMARCA4 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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