SCHEMBL2080343

SCHEMBL2080343

CCOC(=O)Cc1cccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ DHFR P00374 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPD P32754 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2081923 0.83 PPID (0.47) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL1275937 0.83 HTT (0.44) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL10652415 0.79 CYP3A4 (0.48) LMNAMAPTHTTALDH1A1MGLL
SCHEMBL30695843 0.79 CYP3A4 (0.48) LMNAMAPTHTTALDH1A1MGLL
SCHEMBL139320 0.78 PTGDR2 (0.46) HTTALDH1A1DHFRPOLBTHRB
SCHEMBL4126296 0.78 KMT2A (0.48) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL701131 0.78 ALDH1A1 (0.61) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL12246125 0.76 LMNA (0.46) LMNAMAPTALDH1A1MGLLMEN1
SCHEMBL143479 0.74 PTGDR2 (0.44) HTTALDH1A1DHFRPOLBTHRB
SCHEMBL9593360 0.74 ALDH1A1 (0.62) MAPTHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 — — US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 — — US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 — — EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 — — US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 — — 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK LMNA 4717/4885MAPT 3484/4885HTT 4056/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 LMNA 4046/4885MAPT 3185/4885HTT 3791/4885

“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.

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