SCHEMBL16471302

SCHEMBL16471302

FC(F)(F)c1ccc(N=CC=S)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DAO P14920 1/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ NOTUM Q6P988 3/20 0.31
▸ KMO O15229 2/20 0.31
▸ NPFFR1 Q9GZQ6 2/20 0.31
▸ NPFFR2 Q9Y5X5 2/20 0.31

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
SCHEMBL17358311 0.78 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16478274 0.77 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471319 0.74 KMT2A (0.41) KMT2A
SCHEMBL8248239 0.73 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11287987 0.72 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471303 0.70 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13648126 0.70 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471305 0.70 TRPV4 (0.44) KMT2A
SCHEMBL11655245 0.69 KMT2A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL856525 0.69 MAPK1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — 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 (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-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR3E 3876/4885HTR3B 3302/4885HTR3A 4004/4885

“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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