SCHEMBL10189602

SCHEMBL10189602

COc1cc(-n2nncc2-c2ccc(OP(C)(=O)O)cc2)cc(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL17225374 0.93 LMNA (0.45) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189553 0.85 PTGS1 (0.54) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189518 0.84 PTGS1 (0.53) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189600 0.82 ALDH1A1 (0.49) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189592 0.81 ALDH1A1 (0.40) LMNAPTGS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL10189515 0.81 ALDH1A1 (0.63) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL410743 0.81 LMNA (0.47) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189533 0.81 MAPT (0.50) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL10189512 0.80 ALDH1A1 (0.49) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL3301875 0.80 LMNA (0.46) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2274/4885PTGS1 2500/4885PTGS2 3488/4885

“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.