SCHEMBL10189581

SCHEMBL10189581

COc1ccc(-c2cnnn2-c2cc(C)c(C)c(OC)c2)cc1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KATNA1 O75449 1/20 0.38

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
SCHEMBL10189515 0.89 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL10189598 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL10189514 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL412289 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2
SCHEMBL10189578 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL10189542 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL412059 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL10189553 0.84 PTGS1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL10189600 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL10189518 0.83 PTGS1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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.