SCHEMBL4012905

SCHEMBL4012905

Nc1cc(OCc2ccc(C(F)(F)F)cc2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
MPO P05164 1/20 0.48
IDO1 P14902 2/20 0.47
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4011220 0.85 MAOB (0.57) MAOBMPOIDO1MRGPRX4
SCHEMBL4014567 0.80 MPO (0.48) MAOBMPOIDO1
SCHEMBL219145 0.76 ALDH1A1 (0.44) KMT2A
SCHEMBL4016083 0.73 MAOB (0.54) MAOBMPOIDO1
SCHEMBL18640100 0.71 MAOB (0.56) MAOB
SCHEMBL4012289 0.71 MPO (0.53) MAOBMPOIDO1
SCHEMBL11183436 0.70 MAOB (0.67) MAOBIDO1
SCHEMBL28241500 0.69 MAOB (0.49) MAOBMPOIDO1KMT2AMRGPRX4
SCHEMBL4334933 0.69 MAOB (0.65) MAOBIDO1
SCHEMBL5846176 0.69 MAOB (0.65) MAOBIDO1

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MAOB 695/4885MPO 733/4885IDO1 4109/4885

“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.