SCHEMBL7963572

SCHEMBL7963572

OB(O)c1ccc(OCc2ccccc2C2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.55
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 3/20 0.55
NAAA Q02083 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HIF1A Q16665 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HTR6 P50406 2/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
HTR1A P08908 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7973873 0.97 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NAAACA1
SCHEMBL7973968 0.94 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL7975037 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3NAAAPTGDR2
SCHEMBL7973954 0.75 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3F2PRSS1
SCHEMBL29950561 0.73 MAOB (0.60) CA1CA2F2PRSS1PRSS2
SCHEMBL29954245 0.73 NR4A2 (0.60) CA1CA2PTPN1KMT2ANPC1
SCHEMBL2556153 0.73 NR4A2 (0.60) CA1CA2PTPN1KMT2ANPC1
SCHEMBL3761511 0.73 MAOB (0.59) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL30765094 0.72 PARP10 (0.62) SLC6A2SLC6A4SLC6A3F2PRSS1
SCHEMBL22126571 0.71 PARP10 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6

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 SLC6A2 258/4885SLC6A4 1375/4885SLC6A3 1137/4885

“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.