SCHEMBL2260191

SCHEMBL2260191

CN(C)C(=O)c1cc(Br)cc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.36
NCEH1 Q6PIU2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL1004135 0.86 ALDH1A1 (0.46) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL2261587 0.78 SMN1; SMN2 (0.41) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL200586 0.78 CA5A (0.43) HPGDLMNAL3MBTL1NOTUMMAPT
SCHEMBL12476103 0.77 PARP1 (0.46) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL7895707 0.77 CES2 (0.40) SMN1; SMN2ALDH1A1HPGDLMNAERN1
SCHEMBL200827 0.75 TPMT (0.48) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL29528960 0.75 TPMT (0.48) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL3488840 0.74 CA12 (0.46) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL16396395 0.74 NOTUM (0.54) SMN1; SMN2HTTALDH1A1HPGDLMNA
SCHEMBL16396506 0.74 SMN1; SMN2 (0.38) SMN1; SMN2HTTALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S SMN1; SMN2 4394/4885HTT 4578/4885ALDH1A1 697/4885

“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.