SCHEMBL17358311

SCHEMBL17358311

FC(F)(F)c1cc(N=CC=S)cc(Cl)c1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL18653324 0.81 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471300 0.79 — —
SCHEMBL16022924 0.78 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471302 0.78 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19069880 0.75 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15559750 0.74 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471303 0.72 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471297 0.70 KMT2A (0.33) —
SCHEMBL17403485 0.69 AHR (0.35) —
SCHEMBL17212133 0.69 KMT2A (0.36) —

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-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 — — US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 — — 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 (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-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR3E 4034/4885HTR3B 3432/4885HTR3A 4026/4885
US-20160000760-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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