SCHEMBL6711944

SCHEMBL6711944

COC1=NC(C)=C(C(C)=O)C(c2cc(F)c(F)c(F)c2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 5/20 0.36
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6645520 0.77 MYLK (0.38) MYLKMAPTLMNAPOLB
SCHEMBL6714064 0.72 ADRA1D (0.47) ADRA1DADRA1AADRA1BPOLB
SCHEMBL6195226 0.68 KDM4E (0.35) LMNAPOLBL3MBTL1
SCHEMBL6198117 0.64 ADRA1D (0.54) ADRA1DADRA1AADRA1B
SCHEMBL6197607 0.60 ADRA1D (0.46) ADRA1DADRA1AADRA1B
SCHEMBL6196948 0.60 GAA (0.36) ADRA1DADRA1AADRA1BLMNAMEN1
SCHEMBL6196678 0.59 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BLMNAMEN1
SCHEMBL5660976 0.54 ALDH1A1 (0.32) LMNA
SCHEMBL823677 0.54 CES2 (0.64) LMNA
Bromide SCHEMBL31124417 0.52 CES2 (0.61) LMNA

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-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 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 (2 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R MYLK 441/4885ADRA1D 100/4885ADRA1A 88/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R MYLK 3949/4885ADRA1D 149/4885ADRA1A 161/4885

“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.