SCHEMBL3620965

SCHEMBL3620965

O=C(/C=C\c1ccccc1)Nc1nc2cc(Cl)ccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
EGFR P00533 4/20 0.55
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
FBP1 P09467 2/20 0.52
NPC1 O15118 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
HPSE Q9Y251 3/20 0.50
FFAR2 O15552 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL3620968 1.00 MAPT (0.66) MAPTEGFRMMP1MMP2MMP9
SCHEMBL3610946 0.92 MAPT (0.57) MAPTEGFRMMP1MMP2MMP9
SCHEMBL3609093 0.85 MAPT (0.50) MAPTEGFRMAOAMAOBFBP1
SCHEMBL3609096 0.85 MAPT (0.50) MAPTEGFRMAOAMAOBFBP1
SCHEMBL3613050 0.80 MAPT (0.48) MAPTFBP1NPC1RAB9AKCNH2
SCHEMBL3777315 0.79 KCNH2 (0.63) MAPTFBP1NPC1RAB9ASMN1; SMN2
SCHEMBL8125417 0.79 SCD (0.64) MAPTFBP1NPC1RAB9AKCNH2
SCHEMBL4920542 0.76 CSNK1D (0.73) MAPTFBP1SMN1; SMN2KCNH2MEN1
SCHEMBL12539234 0.76 FBP1 (0.54) MAOBFBP1SMN1; SMN2KCNH2MEN1
SCHEMBL14047971 0.75 FFAR2 (0.60) MAPTFBP1NPC1RAB9AKCNH2

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 6 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
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 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 MAPT 2371/4885EGFR 1124/4885MMP1 514/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MAPT 4596/4885EGFR 3250/4885MMP1 1365/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MAPT 2338/4885EGFR 1178/4885MMP1 500/4885

“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.