SCHEMBL2146509

SCHEMBL2146509

Cc1noc(C)c1-c1c(/C=N/O)c2ccc(C(F)(F)F)cc2n1-c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
BRD4 O60885 4/20 0.33
MAT2A P31153 1/20 0.32
ERN1 O75460 3/20 0.31
ACHE P22303 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL2146513 1.00 MLYCD (0.34) MLYCDKDM4EMAPTHTTLMNA
SCHEMBL2146546 0.88 PIK3CD (0.37) LMNABRD4ERN1PIK3CD
SCHEMBL2146543 0.88 PIK3CD (0.37) LMNABRD4ERN1PIK3CD
SCHEMBL2146755 0.86 BRD4 (0.36) KDM4EMAPTLMNABRD4MAT2A
SCHEMBL2146748 0.86 BRD4 (0.36) KDM4EMAPTLMNABRD4MAT2A
SCHEMBL2146302 0.85 ERN1 (0.36) LMNABRD4ERN1PIK3CD
SCHEMBL2146304 0.85 ERN1 (0.36) LMNABRD4ERN1PIK3CD
SCHEMBL2146930 0.83 ESR2 (0.39) KDM4EMAPTHTTLMNABRD4
SCHEMBL2146933 0.83 ESR2 (0.39) KDM4EMAPTHTTLMNABRD4
SCHEMBL2146838 0.82 PTGDR2 (0.39) LMNABRD4ERN1PIK3CD

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 claimed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO claimed

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 MLYCD 4591/4885KDM4E 774/4885MAPT 3853/4885

“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.