SCHEMBL3607683

SCHEMBL3607683

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 1/20 0.64
BLM P54132 2/20 0.63
LMNA P02545 2/20 0.63
KDR P35968 3/20 0.60
ABL1 P00519 1/20 0.54
EPHB4 P54760 1/20 0.53
TEK Q02763 1/20 0.53
ALOX5 P09917 3/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
ROCK1 Q13464 1/20 0.52
ATM Q13315 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
SCHEMBL207226 0.84 ALOX5 (0.70) MEN1KMT2AMAPTALOX5KDM4E
SCHEMBL7681302 0.84 ALOX5 (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19782722 0.82 ADORA3 (0.64) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10808572 0.81 MEN1 (0.82) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Cloflucarban SCHEMBL27537485 0.80 KDR (0.88) MEN1KMT2ALMNAKDRCA1
Cloflucarban SCHEMBL119821 0.80 KDR (0.88) MEN1KMT2ALMNAKDRCA1
SCHEMBL17400600 0.79 ABL1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1ABL1
SCHEMBL6376187 0.78 MEN1 (0.77) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8823146 0.78 ALDH1A1 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29364392 0.77 KDR (1.00) KDRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2486/4885MAPT 2371/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MEN1 4490/4885KMT2A 4046/4885MAPT 4596/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MEN1 2786/4885KMT2A 2406/4885MAPT 2338/4885

“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.