SCHEMBL7974085

SCHEMBL7974085

COc1ccc(C=O)c(OCc2cccc(Br)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PARP15 Q460N3 2/20 0.54
MAOA P21397 4/20 0.53
HDAC8 Q9BY41 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
PSMD14 O00487 1/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1311076 0.85 HDAC8 (0.65) MAOBALDH1A1HDAC8LMNAMAPT
SCHEMBL31001958 0.83 HDAC8 (0.54) MAOBALDH1A1SMN1; SMN2MAOAHDAC8
SCHEMBL6690276 0.82 ALDH1A1 (0.65) MAOBALDH1A1MEN1KMT2AMAPT
SCHEMBL7975050 0.80 MAOB (0.65) MAOBALDH1A1SMN1; SMN2PARP15MAOA
SCHEMBL19849607 0.79 ALDH1A1 (0.63) MAOBALDH1A1SMN1; SMN2PARP15MAOA
SCHEMBL30758793 0.79 ABCB1 (0.60) MAOBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL22784072 0.79 ABCB1 (0.60) MAOBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL21370452 0.78 NPC1 (0.61) MAOBALDH1A1SMN1; SMN2HDAC8MEN1
SCHEMBL95509 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HDAC8LMNAMAPT
SCHEMBL16795567 0.77 MAOB (0.79) MAOBSMN1; SMN2PARP15MAOARAB9A

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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 MAOB 255/4885ALDH1A1 899/4885SMN1; SMN2 182/4885

“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.