SCHEMBL10189689

SCHEMBL10189689

CCCC(=O)Nc1cc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 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
SCHEMBL13041051 0.94 LMNA (0.45) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL10189687 0.93 LMNA (0.46) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL411380 0.91 LMNA (0.46) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL3302459 0.91 ALDH1A1 (0.47) NPSR1LMNAALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL409038 0.90 ALDH1A1 (0.46) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL411212 0.90 LMNA (0.44) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL3302673 0.89 ALDH1A1 (0.48) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL14401728 0.89 LMNA (0.44) NPSR1LMNAALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL407548 0.88 ALDH1A1 (0.47) NPSR1LMNAALDH1A1HPGDCYP1A2
SCHEMBL408635 0.88 LMNA (0.45) NPSR1LMNAALDH1A1HPGDCYP1A2

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 6 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
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-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 (2 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 NPSR1 1837/4885LMNA 2274/4885ALDH1A1 1872/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPSR1 1837/4885LMNA 2274/4885ALDH1A1 1872/4885

“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.