SCHEMBL871606

SCHEMBL871606

ON=C(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM1A O60341 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP1A2 P05177 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46

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
SCHEMBL11834348 0.86 SMN1; SMN2 (0.46) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL11834354 0.86 SMN1; SMN2 (0.46) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL5527914 0.77 MEN1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL5527917 0.77 MEN1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL11184467 0.77 TAS2R38 (0.50) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL28258463 0.77 TAS2R38 (0.50) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL78799 0.75 KMT2A (0.63) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL14739674 0.75 GRIN2D (0.63) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL8785571 0.75 TAS2R38 (0.54) TAS2R38HSD17B10TP53TSHRALDH1A1
SCHEMBL249533 0.75 GRIN2D (0.63) TAS2R38HSD17B10TP53TSHRALDH1A1

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-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 TAS2R38 3461/4885HSD17B10 161/4885TP53 2058/4885

“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.