SCHEMBL3621183

SCHEMBL3621183

COc1ccc2c(/C=C/C(=O)O)cc(F)c(O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
ERN1 O75460 2/20 0.42
TDO2 P48775 1/20 0.41
PKM P14618 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
ESR1 P03372 2/20 0.39
KDM4E B2RXH2 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
SNCA P37840 1/20 0.37
CA7 P43166 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL3621184 1.00 MIF (0.43) MIFERN1TDO2PKMPTGS1
SCHEMBL3611525 0.75 ALDH1A1 (0.41) PKMPTGS2KDM4ECA12CA1
SCHEMBL3611529 0.75 ALDH1A1 (0.41) PKMPTGS2KDM4ECA12CA1
SCHEMBL3605495 0.74 KMT2A (0.41) ERN1TDO2ESR1KDM4EALDH1A1
SCHEMBL3606970 0.72 SLC2A1 (0.38) MIFALDH1A1SMN1; SMN2THRBATM
SCHEMBL3606967 0.72 SLC2A1 (0.38) MIFALDH1A1SMN1; SMN2THRBATM
SCHEMBL28774620 0.72 NNMT (0.50) MIFPKMPTGS1PTGS2ESR1
SCHEMBL590120 0.71 KDM4E (0.43) PKMKDM4ECA12CA1CA2
SCHEMBL590121 0.71 KDM4E (0.43) PKMKDM4ECA12CA1CA2
SCHEMBL5733458 0.71 POLB (0.54) MIFERN1PKMPTGS1PTGS2

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
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS MIF 1531/4885ERN1 837/4885TDO2 568/4885

“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.