SCHEMBL2329049

SCHEMBL2329049

O=Cc1ccc(Cn2ncc([N+](=O)[O-])n2)o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL2327635 0.81 LMNA (0.36) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL9900106 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL1167498 0.77 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKMT2APOLB
SCHEMBL2323672 0.77 LMNA (0.35) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL1704139 0.77 LMNA (0.45) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL2327516 0.77 KMT2A (0.33) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL27870395 0.76 LMNA (0.47) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL1704332 0.76 LMNA (0.33) ALDH1A1KMT2AMEN1LMNACYP2C19
SCHEMBL28794369 0.75 LMNA (0.36) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL2327758 0.74 ALDH1A1 (0.58) ALDH1A1TSHRMAPTKMT2ALMNA

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 ALDH1A1 358/4885TSHR 78/4885MAPT 1392/4885

“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.