SCHEMBL20868709

SCHEMBL20868709

CS/C(C)=N/c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
SLC22A3 O75751 1/20 0.56
PLAU P00749 1/20 0.56
NOS1 P29475 3/20 0.54
NOS3 P29474 2/20 0.54
NOS2 P35228 2/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
ESR1 P03372 2/20 0.49

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
SCHEMBL14269525 0.80 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20856727 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20856728 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL3244490 0.77 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10189875 0.76 NOS3 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13292290 0.76 NOS1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657505 0.73 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657504 0.73 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10452572 0.73 SMN1; SMN2 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3779968 0.72 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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 3 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
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 HTR3E 1020/4885HTR3B 1047/4885HTR3A 1291/4885

“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.