SCHEMBL16471303

SCHEMBL16471303

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.40
▸ HTR3B O95264 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ HTR3D Q70Z44 2/20 0.40
▸ HTR3C Q8WXA8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AHR P35869 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
SCHEMBL16471297 0.84 KMT2A (0.33) KMT2A
SCHEMBL16471318 0.77 — —
SCHEMBL16471319 0.74 KMT2A (0.41) ALDH1A1KMT2A
SCHEMBL17358311 0.72 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16471302 0.70 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17358319 0.69 NOTUM (0.36) ALDH1A1KMT2A
SCHEMBL16471338 0.69 KMT2A (0.40) KMT2A
SCHEMBL16478249 0.67 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13407709 0.66 TRPA1 (0.49) KMT2A
SCHEMBL16471320 0.65 KDM1A (0.34) —

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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