SCHEMBL10189553

SCHEMBL10189553

COc1ccc(-c2cnnn2-c2cc(C)c(C)c(OC)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 2/20 0.43
FLT3 P36888 1/20 0.41

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
SCHEMBL10189518 0.99 PTGS1 (0.53) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL410896 0.92 PTGS1 (0.59) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189515 0.90 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189512 0.89 ALDH1A1 (0.49) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189600 0.89 ALDH1A1 (0.49) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189548 0.88 ALDH1A1 (0.48) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189522 0.88 FLT3 (0.54) PTGS1PTGS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL10189526 0.87 FLT3 (0.57) PTGS1PTGS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL10189596 0.86 ALDH1A1 (0.47) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10189550 0.86 ALDH1A1 (0.47) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA

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 PTGS1 2500/4885PTGS2 3488/4885ALDH1A1 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.