SCHEMBL16590399

SCHEMBL16590399

CCc1cccc(NNC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.51
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 7/20 0.46
MAPT P10636 3/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL3617649 0.83 RAPGEF4 (0.55) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL28200859 0.82 RAPGEF4 (0.50) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL20027641 0.82 PDK1 (0.46) ALDH1A1MAPTSMN1; SMN2MAPK1GAA
SCHEMBL20027769 0.82 HTR6 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4487877 0.82 RAPGEF4 (0.50) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL30012057 0.81 RAPGEF4 (0.53) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL28049042 0.81 RAPGEF4 (0.53) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
Hydrochloric Acid SCHEMBL2868312 0.81 RAPGEF4 (0.53) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL8896899 0.80 RAPGEF4 (0.67) RAPGEF4ALDH1A1SIGMAR1MAPTGRIN2D
SCHEMBL7258875 0.79 ALDH1A1 (0.47) ALDH1A1HPGD

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-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 US disclosed
US-9096545-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-08-04 US disclosed
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-26 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 (3 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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 RAPGEF4 35/4885ALDH1A1 157/4885SIGMAR1 705/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RAPGEF4 810/4885ALDH1A1 170/4885SIGMAR1 735/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RAPGEF4 810/4885ALDH1A1 170/4885SIGMAR1 735/4885

“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.