SCHEMBL3616895

SCHEMBL3616895

O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(Cl)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 1/20 0.61
ABL1 P00519 1/20 0.61
GSTO1 P78417 1/20 0.57
ALOX5 P09917 2/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
KDM1A O60341 1/20 0.53
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL9891792 0.81 ABL1 (0.72) MEN1KMT2AALDH1A1ABL1GSTO1
SCHEMBL2901322 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1ABL1GSTO1
SCHEMBL10808572 0.79 MEN1 (0.82) MEN1KMT2AALDH1A1ABL1GSTO1
SCHEMBL10924496 0.79 ABL1 (0.78) MEN1KMT2AALDH1A1ABL1GSTO1
SCHEMBL10954503 0.78 MAPT (0.61) MEN1KMT2AALDH1A1GSTO1MAPT
SCHEMBL4089149 0.78 ABL1 (0.72) MEN1KMT2AALDH1A1ABL1GSTO1
SCHEMBL6249035 0.78 SCD (0.74) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17107148 0.77 SCD (0.78) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2754064 0.77 ROCK2 (0.62) MEN1KMT2AALDH1A1GSTO1MAPT
SCHEMBL5184586 0.77 GSTO1 (0.57) MEN1KMT2AALDH1A1GSTO1MAPT

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 MEN1 2826/4885KMT2A 2486/4885ALDH1A1 3196/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MEN1 4490/4885KMT2A 4046/4885ALDH1A1 863/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MEN1 2786/4885KMT2A 2406/4885ALDH1A1 3103/4885

“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.