SCHEMBL5446308

SCHEMBL5446308

COc1cccc(C=CC(=O)N(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.62
▸ FOS P01100 1/20 0.62
▸ JUN P05412 1/20 0.62
▸ BCHE P06276 1/20 0.62
▸ ALOX5 P09917 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ CYP1A2 P05177 4/20 0.58
▸ CYP2D6 P10635 4/20 0.58
▸ CYP1A1 P04798 3/20 0.58
▸ CYP1B1 Q16678 3/20 0.58
▸ ABCG2 Q9UNQ0 3/20 0.58
▸ MAOA P21397 2/20 0.58
▸ NR1H4 Q96RI1 3/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ RAB9A P51151 1/20 0.57

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
SCHEMBL6318820 0.91 MAOB (0.62) MAOBFOSJUNBCHEALOX5
SCHEMBL6320363 0.91 MAOB (0.62) MAOBFOSJUNBCHEALOX5
SCHEMBL3580362 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL29822711 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580365 0.83 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL15128596 0.83 MAOB (0.54) MAOBFOSJUNBCHEALOX5
SCHEMBL16964097 0.82 KDM4E (0.55) MAOBFOSJUNBCHEALOX5
SCHEMBL80787 0.82 FOS (0.72) MAOBFOSJUNBCHECYP1A2
SCHEMBL5323645 0.82 MAOB (0.68) MAOBFOSJUNBCHECYP1A2
SCHEMBL2632249 0.82 MAOB (0.68) MAOBFOSJUNBCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 — — US disclosed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 — — EP 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-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 MAOB 417/4885FOS 3647/4885JUN 2153/4885

“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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