SCHEMBL2328103

SCHEMBL2328103

CC1(c2cccc(Cn3ncc([N+](=O)[O-])n3)c2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.32
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL2323244 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL2328449 0.82 CACNA1H (0.31) ALDH1A1SMN1; SMN2GAACACNA1H
SCHEMBL2327481 0.81 TSHR (0.35) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL1166768 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL2332058 0.79
SCHEMBL2328239 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2330962 0.76 KDM4E (0.32) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL2326981 0.76 LMNA (0.33) ALDH1A1LMNAGAA
SCHEMBL2328111 0.75 POLB (0.32) MAPT
SCHEMBL17610775 0.74 CYP19A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNATSHR

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 358/4885SMN1; SMN2 4596/4885MAPT 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.