SCHEMBL12848880

SCHEMBL12848880

O=C(Nc1c(F)cccc1F)c1cc2c(s1)-c1cc(-c3cnco3)ccc1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.45
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 2/20 0.37
IMPDH2 P12268 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HDAC4 P56524 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL12848435 0.86 IL2 (0.44) IL2KDM4EALDH1A1NPC1RAB9A
SCHEMBL12848954 0.84 NOTUM (0.40) IL2KDM4EALDH1A1NPC1RAB9A
SCHEMBL12848481 0.84 MEN1 (0.42) KDM4EALDH1A1NPC1RAB9ATDP1
SCHEMBL12848726 0.82 IL2 (0.47) IL2KDM4EALDH1A1NPC1RAB9A
SCHEMBL12848956 0.81 NOTUM (0.40) IL2KDM4EALDH1A1NPC1RAB9A
SCHEMBL12848721 0.81 GSK3B (0.42) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL12848755 0.80 BTK (0.42) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL12848820 0.80 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ANOTUM
SCHEMBL12848724 0.79 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9ANOTUM
SCHEMBL13770697 0.79 NOTUM (0.50) IL2KDM4EALDH1A1NPC1RAB9A

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 IL2 5/4885KDM4E 2836/4885ALDH1A1 644/4885

“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.