SCHEMBL17121970

SCHEMBL17121970

O=S(=O)(c1ccccc1)n1cc(-c2ccc3cn(C4CCNCC4)nc3c2)c2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.49
IRAK4 Q9NWZ3 1/20 0.38
TLR8 Q9NR97 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DRD3 P35462 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
Hydrochloric Acid SCHEMBL17097339 0.99 HTR6 (0.49) HTR6IRAK4TLR8CA12CA1
SCHEMBL17102235 0.88 HTT (0.39) HTR6CA12CA1CA2CA9
SCHEMBL17102222 0.86 HTR6 (0.47) HTR6CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL17097296 0.85 HTR6 (0.47) HTR6DRD3HTR2A
SCHEMBL17097093 0.84 HTR6 (0.45) HTR6
SCHEMBL16703404 0.83 HTR6 (0.53) HTR6CYP3A4
SCHEMBL17120392 0.83 HTR6 (0.49) HTR6CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL16697723 0.82 HTR6 (0.52) HTR6CYP3A4
SCHEMBL16703642 0.82 HTR6 (0.52) HTR6CYP3A4HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL17097132 0.82 HTR6 (0.49) HTR6HTR2A

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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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 (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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 47/4885IRAK4 2207/4885TLR8 3786/4885

“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.