SCHEMBL5450701

SCHEMBL5450701

CN(C)c1ccc(Nc2ccc(CO)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADRA2A P08913 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ APP P05067 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL165131 0.87 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL9479616 0.82 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL222247 0.82 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL25187902 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL26154964 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
Phosphonic Acid SCHEMBL4093580 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14409688 0.77 HPGD (0.54) ALDH1A1MAPK1CYP3A4TDP1MAPT
SCHEMBL3893822 0.77 APP (0.57) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL13169061 0.76 TSHR (0.42) ALDH1A1TSHRMAPK1TDP1MAPT
SCHEMBL7613523 0.76 MKNK1 (0.45) ALDH1A1TSHRMAPK1TDP1ALOX15

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-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 — — EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 — — WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — 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-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA ALDH1A1 392/4885TSHR 2049/4885MAPK1 638/4885

“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.

Send feedback