SCHEMBL22469732

SCHEMBL22469732

C[Si](C)(C)C#Cc1ccc(Br)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19385645 0.80 KDM4E (0.32) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20929171 0.77 KDM4E (0.30) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL29350654 0.77 KDM4E (0.30) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL25307167 0.76 PKM (0.30)
SCHEMBL20865941 0.73
SCHEMBL16692012 0.72 FGFR2 (0.36) KDM1AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31736077 0.71 KDM4E (0.37) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL30770093 0.70
SCHEMBL15274416 0.70 KDM4E (0.32) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2470697 0.69 ALDH1A1 (0.42) KCNH2KDM4EMEN1ALDH1A1CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275719-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-15 US disclosed
EP-3947407-B1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2024-06-12 EP disclosed
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 US disclosed
EP-3947407-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2022-02-09 EP disclosed
CN-113727988-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2021-11-30 CN disclosed
WO-2020198266-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-01 WO disclosed
WO-2020198266-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-01 WO 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-12275719-B2 Small molecule inhibitors of galectin-3 LGALS3, LGALS1, LGALS3BP KDM1A 3247/4885KCNH2 3808/4885KDM1B 3360/4885
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP KDM1A 3247/4885KCNH2 3808/4885KDM1B 3360/4885

“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.