SCHEMBL676120

SCHEMBL676120

CCCCCc1ccc2c3cc(-c4ccc(OC)cc4)ccc3n(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.44
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
TSPO P30536 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CXCL8 P10145 1/20 0.37
NOD1 Q9Y239 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3726800 0.93 HTR6 (0.40) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3721458 0.83 CNR2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL675444 0.83 HTR6 (0.46) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3721754 0.82 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL675245 0.82 HTR6 (0.45) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3728544 0.81 NPC1 (0.42) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3723900 0.81 HTR6 (0.44) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3724854 0.80 PSEN1 (0.38) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3724852 0.80 PSEN1 (0.38) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL678717 0.79 HTR6 (0.43) HTR6PSEN1PSEN2APH1BNCSTN

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 HTR6 4762/4885PSEN1 1041/4885PSEN2 2253/4885

“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.