SCHEMBL17097323

SCHEMBL17097323

CC(=O)NCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.49
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
KMT2A Q03164 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL17097082 0.94 HTR6 (0.46) HTR6HTR2AHTR7SMN1; SMN2NTRK1
SCHEMBL17096764 0.92 HTR6 (0.47) HTR6HTR2AHTR7SMN1; SMN2
SCHEMBL17120410 0.89 HTR6 (0.42) HTR6HTR2AHTR7SMN1; SMN2
SCHEMBL17102242 0.87 HTR6 (0.45) HTR6HTR2AHTR7SMN1; SMN2
SCHEMBL17097269 0.87 HTR6 (0.42) HTR6HTR2AHTR7MMP2MMP3
SCHEMBL17096726 0.86 HTR6 (0.42) HTR6HTR2AHTR7MMP2MMP3
SCHEMBL17097236 0.85 HTR6 (0.42) HTR6HTR2AHTR7SMN1; SMN2DRD2
SCHEMBL17102224 0.85 HTR6 (0.42) HTR6HTR2AHTR7MMP2MMP3
SCHEMBL17097134 0.84 IDO1 (0.50) HTR6HTR2AHTR7DRD2
SCHEMBL17102205 0.84 HTR6 (0.42) HTR6HTR2AHTR7MMP2MMP3

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
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
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 47/4885HTR2A 71/4885HTR7 52/4885

“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.