SCHEMBL1704332

SCHEMBL1704332

CC(F)(F)c1ccc(Cn2ncc([N+](=O)[O-])n2)o1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1166698 0.79 LMNA (0.41) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL2327635 0.78 LMNA (0.36) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL1704113 0.78 GRIN1 (0.34)
SCHEMBL9900106 0.78 ALDH1A1 (0.36) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL1704139 0.77 LMNA (0.45) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL2323672 0.77 LMNA (0.35) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL2327516 0.77 KMT2A (0.33) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL2329049 0.76 ALDH1A1 (0.40) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL1166788 0.76 LMNA (0.57) LMNAKMT2AGAAALDH1A1MEN1
SCHEMBL27870395 0.76 LMNA (0.47) LMNAKMT2AGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP disclosed
CN-102414207-B Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-30 CN disclosed
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
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 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 (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 LMNA 3951/4885KMT2A 187/4885GAA 2775/4885

“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.