SCHEMBL3613838

SCHEMBL3613838

O=C(Nc1nc2cc(Cl)ccc2o1)c1cc(F)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.51
FFAR2 O15552 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
KCNH2 Q12809 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SCD O00767 1/20 0.43
USP30 Q70CQ3 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5091405 0.88 TP53 (0.64) FBP1FFAR2LMNATP53KCNH2
SCHEMBL3609834 0.87 LMNA (0.55) FBP1FFAR2LMNATP53KCNH2
SCHEMBL8125417 0.82 SCD (0.64) FBP1FFAR2LMNATP53KCNH2
SCHEMBL11434478 0.80 HDAC1 (0.60) FBP1FFAR2LMNATP53KCNH2
SCHEMBL3777315 0.77 KCNH2 (0.63) FBP1FFAR2LMNAKCNH2MEN1
SCHEMBL14047971 0.76 FFAR2 (0.60) FBP1FFAR2LMNAKCNH2MEN1
SCHEMBL4858645 0.74 ANO1 (0.63) FBP1FFAR2LMNATP53KCNH2
SCHEMBL18824198 0.73 FFAR2 (0.59) FBP1FFAR2KCNH2MEN1GAA
SCHEMBL18851597 0.72 MAPT (0.50) FBP1FFAR2LMNAMEN1KMT2A
SCHEMBL26035008 0.72 POLB (0.53) FBP1FFAR2LMNATP53KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (3 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 FBP1 808/4885FFAR2 1050/4885LMNA 1345/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 FBP1 225/4885FFAR2 193/4885LMNA 3037/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 FBP1 825/4885FFAR2 1039/4885LMNA 1466/4885

“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.