SCHEMBL20856348

SCHEMBL20856348

O=C(O)c1ccc2nc(C(F)(F)F)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 3/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
MITF O75030 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
HSD17B10 Q99714 5/20 0.51

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
SCHEMBL8045512 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL19899933 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL3919868 0.79 KDM4E (0.70) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL20856572 0.78 LDHA (0.52) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL19900645 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL30370444 0.77 SRD5A2 (0.53) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL14020214 0.77 SRD5A2 (0.53) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL1261509 0.77 NPC1 (0.75) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL381600 0.77 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL18984451 0.77 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024179405-A1 CLASS OF CINNAMAMIDE DERIVATIVES AND APPLICATION THEREOF 上海交通大学 2024-09-06 WO disclosed
CN-118546081-A Cinnamide derivative and application thereof 上海交通大学 2024-08-27 CN disclosed
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 WO disclosed
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-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
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 SMN1; SMN2 4047/4885KDM4E 3932/4885NFKB1 2875/4885

“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.