SCHEMBL21993751

SCHEMBL21993751

O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 6/20 0.60
▸ PBRM1 Q86U86 4/20 0.60
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ NME2 P22392 2/20 0.40
▸ CCR3 P51677 1/20 0.40

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
SCHEMBL21992948 0.85 SMARCA4 (0.48) SMARCA4PBRM1NPC1RAB9AMEN1
SCHEMBL21931884 0.84 SMARCA4 (0.60) SMARCA4PBRM1NPC1RAB9AHPGD
SCHEMBL21931879 0.84 SMARCA4 (0.60) SMARCA4PBRM1NPC1RAB9AHPGD
SCHEMBL21992757 0.84 SMARCA4 (0.48) SMARCA4PBRM1MEN1KMT2ANME2
SCHEMBL21993749 0.84 SMARCA4 (0.48) SMARCA4PBRM1NPC1RAB9AMEN1
SCHEMBL21993202 0.84 SMARCA4 (0.41) SMARCA4PBRM1NPC1RAB9AMEN1
SCHEMBL29519532 0.83 RAB9A (0.68) NPC1RAB9AKDM4EHPGDMEN1
SCHEMBL21993276 0.82 SMARCA4 (0.64) SMARCA4PBRM1NPC1RAB9AKDM4E
SCHEMBL21992769 0.82 SMARCA4 (0.64) SMARCA4PBRM1NPC1RAB9AKDM4E
SCHEMBL21992956 0.82 MEN1 (0.61) SMARCA4PBRM1NPC1RAB9AKDM4E

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 4399/4885NPC1 165/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885NPC1 165/4885

“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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