SCHEMBL412740

SCHEMBL412740

CCN(CC)c1ccc(-c2cnnn2-c2cc(OC)c(OC)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.39
LMNA P02545 4/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL412173 0.82 PTGS1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL412943 0.81 LMNA (0.50) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL409035 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL408417 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL411831 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL413874 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL410921 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL410286 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL14619399 0.77 PTGS1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAPTGS1
SCHEMBL413423 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885SMN1; SMN2 3188/4885MAPT 95/4885

“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.