SCHEMBL10189671

SCHEMBL10189671

COc1cc(-c2cnnn2-c2ccc(Br)cc2)cc(C)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
FLT3 P36888 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL412245 0.92 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAPOLBPTGS1
SCHEMBL408616 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBPTGS1PTGS2
SCHEMBL10189641 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBFLT3
SCHEMBL410897 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBPTGS1
SCHEMBL411520 0.78 TUBB4A (0.59) ALDH1A1SMN1; SMN2LMNAPOLBPTGS1
SCHEMBL14619382 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAPOLBFLT3
SCHEMBL14619068 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBFLT3MAPT
SCHEMBL412051 0.75 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNA
SCHEMBL14619071 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAPOLBFLT3
SCHEMBL410823 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAPTGS1PTGS2

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 3188/4885LMNA 2274/4885

“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.