SCHEMBL12848568

SCHEMBL12848568

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-n3cnc(Br)c3)ccc1CCC2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
DHODH Q02127 3/20 0.32
NR4A2 P43354 2/20 0.31
CRACR2A Q9BSW2 1/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 2/20 0.31
MLLT3 P42568 1/20 0.30
MLLT1 Q03111 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12848460 0.90 GPR142 (0.37) MAPTSTIM1ORAI1ALDH1A1
SCHEMBL12848966 0.89 MAPT (0.33) MAPTSTIM1ORAI1DHODHCRACR2A
SCHEMBL12848567 0.89 MAP3K5 (0.39)
SCHEMBL12848915 0.88 MAPT (0.36) MAPTSTIM1ORAI1DHODHNR4A2
SCHEMBL12848749 0.88 MAPT (0.34) MAPTSTIM1ORAI1DHODHNR4A2
SCHEMBL12848566 0.88 MAP3K5 (0.35) MAPTSTIM1ORAI1DHODHNR4A2
SCHEMBL12848856 0.88 MAPT (0.33) MAPTSTIM1ORAI1DHODHCRACR2A
SCHEMBL12848751 0.87 HTR2A (0.35) MAPTSTIM1ORAI1DHODHALDH1A1
SCHEMBL12848854 0.87 MAPT (0.34) MAPTSTIM1ORAI1DHODH
SCHEMBL12848964 0.85 MAPT (0.33) MAPTSTIM1ORAI1DHODH

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 MAPT 1865/4885STIM1 294/4885ORAI1 1397/4885

“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.