SCHEMBL2323672

SCHEMBL2323672

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 5/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 4/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28794369 0.88 LMNA (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2327635 0.82 LMNA (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27870395 0.81 LMNA (0.47) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9900106 0.81 ALDH1A1 (0.36) LMNAALDH1A1KMT2AGAAMEN1
SCHEMBL1704139 0.80 LMNA (0.45) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1167121 0.79 LMNA (0.43) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2327516 0.78 KMT2A (0.33) LMNAALDH1A1KMT2AGAAMEN1
SCHEMBL27832822 0.77 ALDH1A1 (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2327758 0.77 ALDH1A1 (0.58) LMNAALDH1A1KMT2AGAAPKM
SCHEMBL2329049 0.77 ALDH1A1 (0.40) LMNAALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 CN disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
CN-101903378-A Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R LMNA 3975/4885ALDH1A1 358/4885CYP1A2 80/4885

“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.