SCHEMBL3303337

SCHEMBL3303337

COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
CIT O14578 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL410821 0.99 AAK1 (0.45) AAK1ALDH1A1SMN1; SMN2LMNACIT
SCHEMBL3301246 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMEN1TP53
SCHEMBL3303174 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1TP53
SCHEMBL3302300 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1TP53
SCHEMBL10189672 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1TP53
Hydrochloric Acid SCHEMBL410323 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1TP53
Hydrochloric Acid SCHEMBL408628 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1TP53
Hydrochloric Acid SCHEMBL412614 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1TP53
Hydrochloric Acid SCHEMBL412593 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1TP53
SCHEMBL412945 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1TP53

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 13 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-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-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
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 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 (3 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 AAK1 3020/4885ALDH1A1 1872/4885SMN1; SMN2 3188/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 AAK1 3020/4885ALDH1A1 1872/4885SMN1; SMN2 3188/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK AAK1 2001/4885ALDH1A1 414/4885SMN1; SMN2 4855/4885

“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.