SCHEMBL3607908

SCHEMBL3607908

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
PARP1 P09874 1/20 0.60
GSTO1 P78417 1/20 0.58
KDM1A O60341 1/20 0.58
MAPT P10636 7/20 0.57
LMNA P02545 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 1/20 0.57
PTGS2 P35354 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
ABL1 P00519 1/20 0.53
POLB P06746 1/20 0.52
MITF O75030 1/20 0.52
NTSR1 P30989 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL3607905 1.00 RAB9A (0.60) RAB9APARP1GSTO1KDM1AMAPT
SCHEMBL5698643 0.89 MAPT (0.72) RAB9APARP1MAPTLMNASMN1; SMN2
SCHEMBL5698653 0.89 MAPT (0.72) RAB9APARP1MAPTLMNASMN1; SMN2
SCHEMBL3621179 0.85 PARP1 (0.84) RAB9APARP1GSTO1MAPTLMNA
SCHEMBL3621177 0.85 PARP1 (0.84) RAB9APARP1GSTO1MAPTLMNA
SCHEMBL4750289 0.83 RAB9A (0.53) RAB9APARP1GSTO1MAPTLMNA
SCHEMBL3611730 0.80 PARP1 (0.59) RAB9APARP1GSTO1MAPTLMNA
SCHEMBL3611727 0.80 PARP1 (0.59) RAB9APARP1GSTO1MAPTLMNA
SCHEMBL10812081 0.78 RAB9A (0.80) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL10922446 0.78 RAB9A (0.80) RAB9AMAPTLMNASMN1; 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 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 RAB9A 3463/4885PARP1 942/4885GSTO1 2778/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 RAB9A 3003/4885PARP1 1909/4885GSTO1 950/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 RAB9A 3421/4885PARP1 1009/4885GSTO1 2919/4885

“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.