SCHEMBL3621179

SCHEMBL3621179

O=C(C=Cc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.84
LMNA P02545 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
MAPT P10636 4/20 0.78
KDM4E B2RXH2 4/20 0.78
MAPK1 P28482 2/20 0.78
GSTO1 P78417 2/20 0.66
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
HTT P42858 3/20 0.63
RAB9A P51151 2/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.60
ABL1 P00519 1/20 0.60
PTGS2 P35354 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
EGFR P00533 1/20 0.56

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
SCHEMBL3621177 1.00 PARP1 (0.84) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4747429 0.85 PARP1 (0.78) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4747427 0.85 PARP1 (0.78) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4747433 0.85 PARP1 (0.78) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3607905 0.85 RAB9A (0.60) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3607908 0.85 RAB9A (0.60) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3611730 0.84 PARP1 (0.59) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3611727 0.84 PARP1 (0.59) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL16682288 0.83 PARP1 (0.58) PARP1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4749672 0.81 PARP1 (0.78) PARP1LMNASMN1; SMN2MAPTKDM4E

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 11 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
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO 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 PARP1 942/4885LMNA 1345/4885SMN1; SMN2 2253/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 PARP1 1909/4885LMNA 3037/4885SMN1; SMN2 1209/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 PARP1 1009/4885LMNA 1466/4885SMN1; SMN2 2272/4885

“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.