SCHEMBL16478249

SCHEMBL16478249

S=Nc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
AHR P35869 6/20 0.36
TSHR P16473 4/20 0.35
CASP1 P29466 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPK1 P28482 2/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16478250 0.80 HTR3E (0.31) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16478063 0.78 GRIN2D (0.31) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17433203 0.73 TSHR (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16022682 0.72 MEN1 (0.33) ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL18755045 0.72
SCHEMBL12440430 0.71 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15556032 0.70 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16478273 0.69 IDO1 (0.30)
SCHEMBL14701088 0.69 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2089009 0.67 ALDH1A1 (0.56) 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
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
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 (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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR3E 3876/4885HTR3B 3302/4885HTR3A 4004/4885
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.