SCHEMBL675452

SCHEMBL675452

C=C(c1ccc2c(c1)c1cc(Cl)cnc1n2S(=O)(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.37
ACLY P53396 3/20 0.36
HTR6 P50406 2/20 0.36
PTGDR2 Q9Y5Y4 8/20 0.36
PTGDR Q13258 3/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CCKAR P32238 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL675485 0.88 SRC (0.41) SRCACLYHTR6PTGDR2PTGDR
SCHEMBL675182 0.84 PTGDR (0.36) SRCACLYHTR6PTGDR2PTGDR
SCHEMBL675759 0.83 PTGDR2 (0.37) SRCACLYHTR6PTGDR2PTGDR
SCHEMBL16241827 0.82 HTR6 (0.41) SRCHTR6PTGDR2PTGDRPSEN1
SCHEMBL674879 0.81 PTGDR2 (0.37) SRCACLYHTR6PTGDR2PTGDR
SCHEMBL676109 0.81 PTGDR2 (0.37) SRCACLYPTGDR2PTGDRCYP3A4
SCHEMBL675869 0.81 HTR6 (0.40) HTR6PPARGPPARDPPARA
SCHEMBL13460984 0.76 ACLY (0.43) SRCACLYHTR6PSEN1PSEN2
SCHEMBL3664241 0.76 ACLY (0.43) SRCACLYHTR6PSEN1PSEN2
SCHEMBL675276 0.76 HTR6 (0.43) SRCACLYHTR6PSEN1PSEN2

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 SRC 178/4885ACLY 3795/4885HTR6 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.