SCHEMBL3609834

SCHEMBL3609834

O=C(Nc1nc2cc(Cl)ccc2o1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNQ5 Q9NR82 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
FBP1 P09467 2/20 0.50
ADCY1 Q08828 1/20 0.50
FFAR2 O15552 1/20 0.50
HDAC1 Q13547 1/20 0.49
KCNH2 Q12809 2/20 0.48
GAA P10253 1/20 0.48
SCD O00767 1/20 0.48

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
SCHEMBL3613838 0.87 FBP1 (0.51) LMNATP53NPC1RAB9AMEN1
SCHEMBL5091405 0.86 TP53 (0.64) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL8125417 0.86 SCD (0.64) LMNATP53NPC1RAB9AMEN1
SCHEMBL13148268 0.82 HPGDS (0.62) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL11434478 0.79 HDAC1 (0.60) LMNATP53MEN1KMT2AFBP1
SCHEMBL3768774 0.78 PTGES (0.60) LMNATP53CETPMAPT
SCHEMBL3777315 0.76 KCNH2 (0.63) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14537898 0.76 FBP1 (0.50) LMNATP53SMN1; SMN2MEN1KMT2A
SCHEMBL14047971 0.75 FFAR2 (0.60) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL18851597 0.74 MAPT (0.50) LMNANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed

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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 LMNA 1345/4885TP53 2351/4885NPC1 639/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 LMNA 1466/4885TP53 2530/4885NPC1 698/4885

“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.