SCHEMBL12848534

SCHEMBL12848534

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccc(O)nc3)ccc1CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
DHODH Q02127 5/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
TP53 P04637 4/20 0.33
NR4A2 P43354 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
IL2 P60568 1/20 0.32
BCL2 P10415 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
SCHEMBL12848541 0.92 MAPT (0.35) MAPTDHODHALDH1A1GFERSTIM1
SCHEMBL12848538 0.90 ABL1 (0.37) MAPTDHODHSTIM1ORAI1TP53
SCHEMBL14222752 0.90 HDAC4 (0.38) MAPTDHODHSTIM1ORAI1TP53
SCHEMBL12848817 0.88 DHODH (0.40) MAPTDHODHALDH1A1NR4A2MEN1
SCHEMBL12848715 0.88 ABCB1 (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL12848819 0.87 MAPT (0.35) MAPTDHODHALDH1A1GFERTP53
SCHEMBL14172542 0.87 MAOB (0.39) MAPTDHODHALDH1A1GFERTP53
SCHEMBL12848533 0.86 BCL2L1 (0.37) MAPTDHODHALDH1A1GFERTP53
SCHEMBL12848710 0.86 MAPT (0.35) MAPTDHODHALDH1A1GFERTP53
SCHEMBL12848711 0.85 ROCK2 (0.40)

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 MAPT 936/4885DHODH 1008/4885ALDH1A1 2365/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 MAPT 1865/4885DHODH 1141/4885ALDH1A1 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.