SCHEMBL3634673

SCHEMBL3634673

CC(C)Nc1cccc(F)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
EGFR P00533 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL21247464 0.85 TDP1 (0.42) TDP1IDO1L3MBTL1KMT2ALMNA
SCHEMBL17048148 0.79 TDP1 (0.38) TDP1IDO1L3MBTL1KMT2ALMNA
SCHEMBL30039012 0.79 CD44 (0.43) HDAC1TDP1IDO1L3MBTL1KMT2A
SCHEMBL632301 0.79 L3MBTL1 (0.49) TDP1IDO1L3MBTL1KMT2ALMNA
SCHEMBL14017790 0.78 GAA (0.45) TDP1IDO1L3MBTL1KMT2ALMNA
SCHEMBL3635789 0.78 CD44 (0.46) EGFRTDP1IDO1LMNAGAA
SCHEMBL1861299 0.77 HDAC1 (0.45) HDAC1EGFRTDP1L3MBTL1KMT2A
SCHEMBL1654361 0.76 EGFR (0.36) EGFRTDP1IDO1L3MBTL1LMNA
SCHEMBL21316930 0.76 TDP1 (0.35) TDP1IDO1L3MBTL1KMT2ALMNA
SCHEMBL3633712 0.76 NR4A2 (0.45) EGFRTDP1IDO1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
EP-2091933-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2009-08-26 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO disclosed
US-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
WO-2008073943-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 HDAC1 125/4885EGFR 4071/4885TDP1 1839/4885
US-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE DBH, SLC6A3, SLC6A4 HDAC1 2181/4885EGFR 4495/4885TDP1 353/4885

“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.