SCHEMBL675451

SCHEMBL675451

O=S(=O)(c1ccccc1)n1c2ccc(C=Cc3cccc(F)c3)cc2c2cc(Cl)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.40
HTR2A P28223 2/20 0.40
HTR6 P50406 1/20 0.38
PTGDR Q13258 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
SRC P12931 1/20 0.37
TP53 P04637 3/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACLY P53396 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 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

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
SCHEMBL675484 0.93 SRC (0.40) HTR6SRCTP53ALDH1A1ACLY
SCHEMBL679195 0.93 SRC (0.40) HTR6SRCTP53ALDH1A1ACLY
SCHEMBL675278 0.85 SRC (0.41) HTR6SRCTP53ALDH1A1ACLY
SCHEMBL675868 0.84 HTR6 (0.42) NFE2L2HTR2AHTR6PTGDR2TP53
SCHEMBL16241826 0.84 HTR6 (0.42) NFE2L2HTR2AHTR6PTGDR2TP53
SCHEMBL3665338 0.84 HTR6 (0.42) NFE2L2HTR2AHTR6PTGDR2TP53
SCHEMBL675181 0.84 NFE2L2 (0.40) NFE2L2HTR2AHTR6PTGDRPTGDR2
SCHEMBL675758 0.83 NFE2L2 (0.39) NFE2L2HTR2AHTR6PTGDRPTGDR2
SCHEMBL674527 0.83 NPC1 (0.41) HTR6SRC
SCHEMBL677841 0.83 NPC1 (0.41) HTR6SRC

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 4375/4885HTR6 4762/4885

“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.