SCHEMBL3301875

SCHEMBL3301875

COc1cc(-n2nncc2-c2ccc(OP(=O)(O)O)cc2)cc(OC)c1OC.[NaH].[NaH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL410743 0.99 LMNA (0.47) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL410417 0.88 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL3301869 0.88 PTGS1 (0.49) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL17225374 0.87 LMNA (0.45) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL411526 0.87 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL411478 0.86 ALDH1A1 (0.45) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL406868 0.84 PTGS1 (0.57) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL411865 0.83 PTGS1 (0.56) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL413249 0.83 LMNA (0.41) LMNAPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL4660911 0.82 POLB (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 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-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK LMNA 4831/4885PTGS1 36/4885PTGS2 50/4885

“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.