SCHEMBL4948481

SCHEMBL4948481

Cc1ccc(F)c(-c2ccno2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
EPHX2 P34913 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SLC9A1 P19634 1/20 0.41
NOTUM Q6P988 1/20 0.40
AR P10275 1/20 0.37
PIM1 P11309 1/20 0.37
SRC P12931 1/20 0.37
GSK3A P49840 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 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
SCHEMBL9681107 0.81 EPHX2 (0.47) SMN1; SMN2GAAKDM4EALDH1A1EPHX2
SCHEMBL1628070 0.80 EPHX2 (0.65) SMN1; SMN2GAAKDM4EALDH1A1EPHX2
SCHEMBL29542347 0.79 GAA (0.53) SMN1; SMN2GAAKDM4EALDH1A1EPHX2
SCHEMBL13830012 0.75 NISCH (0.52) SMN1; SMN2NISCHSLC9A1PIM1SRC
SCHEMBL29901001 0.75 NISCH (0.52) SMN1; SMN2NISCHSLC9A1PIM1SRC
SCHEMBL9289178 0.74 ACHE (0.46) SMN1; SMN2GAAKDM4EALDH1A1EPHX2
Hydrochloric Acid SCHEMBL29900999 0.73 NISCH (0.50) SMN1; SMN2NISCHSLC9A1PIM1SRC
SCHEMBL6817772 0.72 CYP1A2 (0.47) SMN1; SMN2GAAKDM4EALDH1A1NISCH
SCHEMBL29541546 0.72 CYP1A2 (0.47) SMN1; SMN2GAAKDM4EALDH1A1NISCH
SCHEMBL29542034 0.71 EPHX2 (0.44) SMN1; SMN2GAAKDM4EALDH1A1EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 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-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 SMN1; SMN2 906/4885GAA 2576/4885KDM4E 2792/4885

“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.