SCHEMBL5149328

SCHEMBL5149328

CCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)N[C@@H](CO)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ROCK1 Q13464 6/20 0.36
ROCK2 O75116 4/20 0.36
SSTR2 P30874 2/20 0.34
GSK3A P49840 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRKACA P17612 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
PRKCQ Q04759 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5149327 1.00 MEN1 (0.37) MEN1KMT2AROCK1ROCK2SSTR2
SCHEMBL5151040 0.86 ITGB2 (0.41) MEN1KMT2AROCK1ROCK2MAPT
SCHEMBL14557647 0.85 HDAC3 (0.41) MEN1KMT2AROCK1ROCK2GSK3A
SCHEMBL4602247 0.85 HDAC3 (0.41) MEN1KMT2AROCK1ROCK2GSK3A
SCHEMBL5149341 0.81 MEN1 (0.36) MEN1KMT2ASSTR2MAPTHPGD
SCHEMBL5149344 0.81 MEN1 (0.36) MEN1KMT2ASSTR2MAPTHPGD
SCHEMBL5155663 0.81 MEN1 (0.36) MEN1KMT2ASSTR2MAPTHPGD
SCHEMBL5155669 0.81 MEN1 (0.36) MEN1KMT2ASSTR2MAPTHPGD
SCHEMBL5151724 0.80 HDAC3 (0.39) MEN1KMT2ASSTR2MAPTNPC1
SCHEMBL5151734 0.80 HDAC3 (0.39) MEN1KMT2ASSTR2MAPTNPC1

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MEN1 410/4885KMT2A 916/4885ROCK1 1720/4885

“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.