SCHEMBL674878

SCHEMBL674878

O=S(=O)(c1ccccc1)n1c2ccc(C=Cc3cccc(F)c3)cc2c2c(C=Cc3cccc(F)c3)ccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGDR Q13258 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ALK Q9UM73 1/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM4 Q14833 1/20 0.36
HTR6 P50406 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
PARP1 P09874 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL3671974 0.92 IP6K1 (0.41) HTR2AHTR2CKCNH2PTGDR2ALK
SCHEMBL675758 0.89 NFE2L2 (0.39) NFE2L2HTR2APTGDRPTGDR2GRM4
SCHEMBL3666054 0.83 SNCA (0.46) PTGDR2ALKHTR6
SCHEMBL3726812 0.83 PTGDR2 (0.36) NFE2L2HTR2AHTR2CPTGDRPTGDR2
SCHEMBL675465 0.80 IP6K1 (0.38) PTGDR2ALDH1A1HTR6TP53MAPT
SCHEMBL678731 0.80 IP6K1 (0.38) PTGDR2ALDH1A1HTR6TP53MAPT
SCHEMBL675451 0.80 NFE2L2 (0.40) NFE2L2HTR2APTGDRPTGDR2ALDH1A2
SCHEMBL676108 0.79 HTR2A (0.43) NFE2L2HTR2APTGDRPTGDR2ALDH1A2
SCHEMBL675181 0.78 NFE2L2 (0.40) NFE2L2HTR2APTGDRPTGDR2ALDH1A2
SCHEMBL676946 0.77 ALK (0.56) PTGDR2ALKALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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 (1 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 NFE2L2 845/4885HTR2A 4375/4885HTR2C 4307/4885

“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.