SCHEMBL21992772

SCHEMBL21992772

CCOc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 3/20 0.60
▸ SMARCA4 P51532 6/20 0.58
▸ CCR3 P51677 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NME2 P22392 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX5 P09917 1/20 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
SCHEMBL21992767 0.88 CCR3 (0.63) PBRM1SMARCA4CCR3MAPTNPC1
SCHEMBL21931877 0.87 SMARCA4 (0.53) PBRM1SMARCA4CCR3MAPTNPC1
SCHEMBL21992771 0.86 PBRM1 (0.64) PBRM1SMARCA4CCR3NPC1RAB9A
SCHEMBL25053623 0.84 RAB9A (0.62) PBRM1SMARCA4MAPTNPC1RAB9A
SCHEMBL21993285 0.84 MEN1 (0.65) PBRM1SMARCA4NPC1RAB9AKMT2A
SCHEMBL21931885 0.84 RAB9A (0.62) PBRM1SMARCA4MAPTNPC1RAB9A
SCHEMBL21931886 0.84 RAB9A (0.62) PBRM1SMARCA4MAPTNPC1RAB9A
SCHEMBL21993276 0.82 SMARCA4 (0.64) PBRM1SMARCA4CCR3MAPTNPC1
SCHEMBL21992747 0.82 SMARCA4 (0.58) PBRM1SMARCA4CCR3NPC1RAB9A
SCHEMBL21993759 0.81 SMARCA4 (0.61) PBRM1SMARCA4CCR3NPC1RAB9A

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