SCHEMBL10189588

SCHEMBL10189588

COc1ccc(-c2cnnn2-c2cc(C)c(C)c(OC)c2)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL10189563 0.87 LMNA (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL413286 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1THRB
SCHEMBL10189553 0.82 PTGS1 (0.54) ALDH1A1SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10189518 0.81 PTGS1 (0.53) ALDH1A1SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10189593 0.81 LMNA (0.39) ALDH1A1SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10189515 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10189581 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10189551 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL412888 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10189569 0.77 LMNA (0.36) ALDH1A1SMN1; SMN2MAPTKMT2APTGS1

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
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.