SCHEMBL12848432

SCHEMBL12848432

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-c3ccccn3)ccc1CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
KAT6A Q92794 3/20 0.38
BCL2L1 Q07817 4/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY5R Q15761 1/20 0.36
CREBBP Q92793 1/20 0.36
DHODH Q02127 2/20 0.36
NR4A2 P43354 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L2 Q92843 1/20 0.35
SCN9A Q15858 1/20 0.35
IGF1R P08069 1/20 0.34
ABL1 P00519 1/20 0.34
KAT7 O95251 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL12848818 0.88 DHODH (0.36) TDP1NPC1ALDH1A1TP53POLB
SCHEMBL12848533 0.86 BCL2L1 (0.37) TDP1BCL2L1NPC1ALDH1A1TP53
SCHEMBL12848710 0.86 MAPT (0.35) TDP1BCL2L1NPC1ALDH1A1TP53
SCHEMBL12848820 0.85 KDM4E (0.40) KAT6ABCL2L1NPC1ALDH1A1RAB9A
SCHEMBL12796226 0.85 ALDH1A1 (0.44) KAT6ABCL2L1NPC1ALDH1A1TP53
SCHEMBL12848430 0.85 VCP (0.37) KAT6ABCL2L1ALDH1A1DHODHNR4A2
SCHEMBL14172542 0.85 MAOB (0.39) NPC1ALDH1A1TP53POLBRAB9A
SCHEMBL12848541 0.85 MAPT (0.35) BCL2L1NPC1ALDH1A1TP53POLB
SCHEMBL12848715 0.84 ABCB1 (0.40) NPC1RAB9ASMN1; SMN2NPY5RCREBBP
SCHEMBL12848534 0.84 MAPT (0.34) BCL2L1NPC1ALDH1A1TP53POLB

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 TDP1 3879/4885KAT6A 2839/4885BCL2L1 747/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 TDP1 4423/4885KAT6A 2931/4885BCL2L1 812/4885

“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.