SCHEMBL676169

SCHEMBL676169

O=S(=O)(c1ccccc1)n1c2ccc(C#CC3CCCCC3)cc2c2ccc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.40
HTR6 P50406 6/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SCN9A Q15858 2/20 0.33
SRC P12931 2/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL676193 0.85 SRC (0.39) HTR6SRCCNR2
SCHEMBL676253 0.84 PAX8 (0.40) PAX8HTR6NPC1MAPTRAB9A
SCHEMBL3427917 0.83 NPC1 (0.36) PAX8NPC1RAB9A
SCHEMBL676809 0.82 PAX8 (0.40) PAX8HTR6NPC1MAPTRAB9A
SCHEMBL675860 0.80 NPC1 (0.46) HTR6NPC1RAB9ASRCFFAR1
SCHEMBL676233 0.79 SRC (0.34) PAX8HTR6NPC1RAB9ASRC
SCHEMBL3668236 0.75 HTR6 (0.46) HTR6SRC
SCHEMBL675280 0.75 HTR6 (0.44) HTR6MAPTSRC
SCHEMBL674753 0.72 TP53 (0.40) HTR6MAPTSRC
SCHEMBL678710 0.72 TP53 (0.40) HTR6MAPTSRC

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 PAX8 3014/4885HTR6 4762/4885NPC1 239/4885

“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.