SCHEMBL12848533

SCHEMBL12848533

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccnc(F)c3)ccc1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.37
BCL2 P10415 1/20 0.37
BCL2L2 Q92843 1/20 0.37
DHODH Q02127 4/20 0.36
NR4A2 P43354 3/20 0.36
ELOVL1 Q9BW60 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.32

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
SCHEMBL12848710 0.91 MAPT (0.35) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848541 0.89 MAPT (0.35) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848535 0.89 DHODH (0.51) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848432 0.86 TDP1 (0.38) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848715 0.86 ABCB1 (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL12848534 0.86 MAPT (0.34) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848818 0.86 DHODH (0.36) DHODHNR4A2MAPTTDP1ALDH1A1
SCHEMBL12848819 0.86 MAPT (0.35) DHODHNR4A2MAPTALDH1A1GFER
SCHEMBL12848430 0.86 VCP (0.37) BCL2L1BCL2BCL2L2DHODHNR4A2
SCHEMBL12848538 0.86 ABL1 (0.37) DHODHMAPTTP53POLBROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
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
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 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 (2 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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 BCL2L1 747/4885BCL2 512/4885BCL2L2 987/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 BCL2L1 812/4885BCL2 727/4885BCL2L2 1097/4885

“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.