SCHEMBL2146953

SCHEMBL2146953

Cc1n[nH]c(C)c1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
GLA P06280 1/20 0.33
CHEK1 O14757 1/20 0.32
AKT2 P31751 1/20 0.32
GAA P10253 3/20 0.30
KDM4E B2RXH2 3/20 0.30
LMNA P02545 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PAX8 Q06710 1/20 0.30
TNIK Q9UKE5 1/20 0.30
TTR P02766 1/20 0.30
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2146870 1.00 HSP90AA1 (0.34) HSP90AA1MAPTPOLBHPGDGFER
SCHEMBL2284076 0.89 HSP90AA1 (0.37) HSP90AA1MAPTPOLBHPGDGLA
SCHEMBL2146591 0.85 HPGD (0.36) MAPTPOLBHPGDGFERCHEK1
SCHEMBL2146596 0.85 HPGD (0.36) MAPTPOLBHPGDGFERCHEK1
SCHEMBL1076234 0.83 HSP90AA1 (0.33) HSP90AA1GLACHEK1AKT2TTR
SCHEMBL1076239 0.83 HSP90AA1 (0.33) HSP90AA1GLACHEK1AKT2TTR
SCHEMBL2147598 0.83 MAPT (0.35) MAPTPOLBGLAGAAKDM4E
SCHEMBL2147594 0.83 MAPT (0.35) MAPTPOLBGLAGAAKDM4E
SCHEMBL2146365 0.83 ALOX15 (0.38) MAPTHPGDGLAGAAKDM4E
SCHEMBL2146361 0.83 ALOX15 (0.38) MAPTHPGDGLAGAAKDM4E

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 HSP90AA1 3639/4885MAPT 3853/4885POLB 4518/4885

“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.