SCHEMBL2146478

SCHEMBL2146478

Cn1ncc(C#N)c1-c1c(/C=N\O)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 3/20 0.32
ESR1 P03372 2/20 0.32
IMPDH2 P12268 1/20 0.32
POLB P06746 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASP3 P42574 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
SCHEMBL2146484 1.00 MAPT (0.34) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2288702 0.84 USP14 (0.32)
SCHEMBL2288699 0.84 USP14 (0.32)
SCHEMBL2146338 0.82 ESR2 (0.42) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2146611 0.80 MAPT (0.35) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2146457 0.79 ESR2 (0.34) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2147220 0.79 LMNA (0.38) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2147223 0.79 LMNA (0.38) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2146622 0.78 LMNA (0.32) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL2146628 0.76 ESR2 (0.41) MAPTKDM4ENPC1RAB9ALMNA

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
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US claimed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 MAPT 3853/4885KDM4E 774/4885NPC1 1768/4885

“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.