SCHEMBL21992773

SCHEMBL21992773

O=c1nc2n(c3ccccc13)CC/C2=C/c1cc(Br)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.57
▸ PBRM1 Q86U86 4/20 0.57
▸ CCR3 P51677 5/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 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
SCHEMBL21931879 0.81 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL21931884 0.81 SMARCA4 (0.60) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL21992769 0.78 SMARCA4 (0.64) SMARCA4PBRM1CCR3MEN1KMT2A
SCHEMBL21992956 0.77 MEN1 (0.61) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL13977272 0.76 RAB9A (0.60) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL21993209 0.75 SMARCA4 (0.58) SMARCA4PBRM1MAPTTUBB4ATUBB
SCHEMBL28380900 0.73 TUBB4A (0.67) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL30859439 0.73 TUBB4A (0.67) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL22794557 0.73 SMARCA4 (1.00) SMARCA4PBRM1MEN1KMT2AMAPT
SCHEMBL21993276 0.73 SMARCA4 (0.64) SMARCA4PBRM1CCR3MEN1KMT2A

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 4399/4885CCR3 752/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885CCR3 752/4885

“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.

Send feedback