SCHEMBL4846404

SCHEMBL4846404

S=C1Nc2cccc3c2C(CCC3)O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
THRB P10828 1/20 0.33
HK1 P19367 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
IDO1 P14902 2/20 0.32
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31

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
SCHEMBL4847795 0.81 MAPT (0.40) MAPTNPC1PDE7APDE7B
SCHEMBL4186361 0.66 MAPT (0.43) MAPTKDM4ENPC1PDE7APDE7B
SCHEMBL7269283 0.65 HTR3B (0.39)
SCHEMBL11250932 0.64 MAPT (0.34) MAPTPDE7APDE7B
SCHEMBL5753754 0.64 CYP2A6 (0.41)
SCHEMBL4501455 0.64 OPRL1 (0.35)
SCHEMBL5527062 0.64 MAPT (0.33) MAPTIDO1
SCHEMBL829452 0.63 TSHR (0.43)
SCHEMBL11251668 0.62 MAPT (0.33) MAPTPDE7APDE7B
SCHEMBL11251690 0.62 HTR5A (0.44) PDE7APDE7B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 US disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 MAPT 2468/4885KDM4E 3549/4885MEN1 693/4885

“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.