SCHEMBL12848825

SCHEMBL12848825

O=C(Nc1c(F)cccc1F)c1cc2c(s1)-c1cc(Br)ccc1OCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
PIK3CA P42336 6/20 0.44
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
PIK3CB P42338 4/20 0.41
TP53 P04637 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12848580 0.83 NOTUM (0.44) NOTUMKDM4EMAPTALDH1A1MEN1
SCHEMBL12848882 0.82 MEN1 (0.48) NOTUMPIK3CAKDM4EMAPTALDH1A1
SCHEMBL12848734 0.80 NOTUM (0.41) NOTUMPIK3CAKDM4EMAPTALDH1A1
SCHEMBL988576 0.79 NOTUM (0.56) NOTUMPIK3CAKDM4EALDH1A1GAA
SCHEMBL988463 0.79 NOTUM (0.70) NOTUMPIK3CAKDM4EALDH1A1GAA
SCHEMBL12848729 0.78 KDM4E (0.41) NOTUMKDM4EMAPTALDH1A1MEN1
SCHEMBL4109994 0.78 NOTUM (0.55) NOTUMPIK3CAKDM4EALDH1A1GAA
SCHEMBL987951 0.78 NOTUM (0.55) NOTUMPIK3CAKDM4EALDH1A1GAA
SCHEMBL12719326 0.78 KDM4E (0.56) NOTUMPIK3CAKDM4EALDH1A1GAA
SCHEMBL4109996 0.75 NOTUM (0.50) NOTUMPIK3CAKDM4EMAPTALDH1A1

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOTUM 2573/4885PIK3CA 1831/4885KDM4E 2836/4885

“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.