SCHEMBL20856563

SCHEMBL20856563

NNc1cc(Cl)ccc1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
IDO1 P14902 3/20 0.37
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL26665293 0.80 HTT (0.47) LMNAHTTTP53IDO1MAPT
SCHEMBL19976890 0.76 LMNA (0.39) LMNAHTTTP53IDO1MAPT
SCHEMBL1337289 0.74 IDO1 (0.41) LMNAHTTIDO1MAPTGAA
SCHEMBL20856719 0.72 CYP3A4 (0.52) LMNAHTTTP53MAPTGAA
Hydrochloric Acid SCHEMBL3641623 0.72 IDO1 (0.40) LMNAHTTIDO1MAPTGAA
SCHEMBL29710420 0.72 IDO1 (0.57) TP53IDO1MAPTALDH1A1KDM4E
SCHEMBL1132624 0.72 IDO1 (0.57) TP53IDO1MAPTALDH1A1KDM4E
SCHEMBL5246159 0.72 TP53 (0.56) LMNAHTTTP53IDO1GAA
Hydrochloric Acid SCHEMBL27028595 0.71 IRAK4 (0.40) LMNAHTTTP53IDO1MAPT
Hydrochloric Acid SCHEMBL30639285 0.71 IRAK4 (0.40) LMNAHTTTP53IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 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 (1 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-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LMNA 1476/4885HTT 3565/4885TP53 1567/4885

“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.