SCHEMBL7188765

SCHEMBL7188765

COc1cc(OCCN)ccc1-c1cccc(NNc2cccc(-c3ccc(OCCN4CCc5ccccc5C4)cc3OC)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ABCB1 P08183 3/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GCGR P47871 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL7188760 0.90 NOS3 (0.48) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL219973 0.86 NOS3 (0.52) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL27981986 0.79 MEN1 (0.51) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL7126072 0.74 NOS3 (0.60) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL2652409 0.72 MAOB (0.57) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL221914 0.71 NOS3 (0.63) KDM4EALDH1A1POLB
SCHEMBL2650140 0.71 GCGR (0.59) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL4284903 0.71 NOS1 (0.54) MEN1KMT2AKDM4EMAPT
SCHEMBL2652406 0.71 GCGR (0.61) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL16241884 0.68 CHEK1 (0.48)

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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed

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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 MEN1 3328/4885KMT2A 994/4885L3MBTL1 3698/4885

“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.