SCHEMBL8738541

SCHEMBL8738541

CN(C)c1nc(Cc2ccc(NC(=O)/C=C/c3ccccc3CO)cc2)nc(N2CCOCC2)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
TBXA2R P21731 1/20 0.42
PTGDR Q13258 1/20 0.42
RAB9A P51151 3/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MCHR1 Q99705 1/20 0.35
CDK19 Q9BWU1 1/20 0.35

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
SCHEMBL8739272 0.92 MAPT (0.44) MAPTKMT2ALMNANPC1PTGDR2
SCHEMBL1010012 0.90 RAB9A (0.52) MAPTKMT2ALMNANPC1PTGDR2
SCHEMBL1010026 0.90 RAB9A (0.52) MAPTKMT2ALMNANPC1PTGDR2
SCHEMBL1010028 0.89 MAPT (0.57) MAPTKMT2ALMNANPC1PTGDR2
SCHEMBL1010025 0.89 MAPT (0.57) MAPTKMT2ALMNANPC1PTGDR2
SCHEMBL1009280 0.83 MAPT (0.56) MAPTLMNANPC1PTGDR2TBXA2R
SCHEMBL1009283 0.83 MAPT (0.56) MAPTLMNANPC1PTGDR2TBXA2R
SCHEMBL1010661 0.82 PTGDR2 (0.49) MAPTKMT2ANPC1PTGDR2TBXA2R
SCHEMBL1010338 0.82 PTGDR2 (0.49) MAPTKMT2ANPC1PTGDR2TBXA2R
SCHEMBL2005992 0.80 TBXA2R (0.48) MAPTNPC1PTGDR2TBXA2RPTGDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 MAPT 4676/4885KMT2A 3785/4885LMNA 3868/4885

“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.