SCHEMBL1703783

SCHEMBL1703783

CN(C)c1cccc(-c2oc(-c3nn(Cc4ccc(C(C)(F)F)o4)nc3C(N)=O)nc2C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GPR52 Q9Y2T5 1/20 0.30
FPR2 P25090 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL1704477 0.90 FPR2 (0.35) LRRK2SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL2131687 0.90 FPR2 (0.39) FPR2
SCHEMBL1704326 0.89 IKBKB (0.36)
SCHEMBL1704456 0.89 IKBKB (0.41) SLC16A3SLC16A1MCTS1FPR2
SCHEMBL1704159 0.87 IKBKB (0.44) FPR2
SCHEMBL2327570 0.87 LRRK2 (0.36) LRRK2SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL1703791 0.84 FPR2 (0.46) LRRK2SLC16A3SLC16A1MCTS1FPR2
SCHEMBL1704368 0.84 LRRK2 (0.34) LRRK2SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL1704482 0.84 MAPK14 (0.34) FPR2
SCHEMBL2332003 0.82 FYN (0.39) LRRK2SLC16A3SLC16A1MCTS1SMN1; SMN2

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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 LRRK2 3073/4885SLC16A3 2799/4885SLC16A1 2296/4885

“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.