SCHEMBL5597279

SCHEMBL5597279

N#CC(=NO)c1nc2c(Cl)ncc(Br)c2n1CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5597276 1.00 ALDH1A1 (0.34) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL691440 0.84 ALDH1A1 (0.46) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL691439 0.84 ALDH1A1 (0.46) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL5062797 0.79 ALDH1A1 (0.40) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL5062800 0.79 ALDH1A1 (0.40) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL5608053 0.76 GRM2 (0.30)
Nitrous Acid SCHEMBL4243378 0.74 ALDH1A1 (0.36) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1
SCHEMBL4243375 0.67 CTSL (0.31)
SCHEMBL5597164 0.66 ROCK1 (0.50)
SCHEMBL5065108 0.64 ALDH1A1 (0.54) ALDH1A1POLBHPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 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-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA ALDH1A1 2956/4885POLB 896/4885HPGD 2750/4885

“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.