SCHEMBL676253

SCHEMBL676253

O=S(=O)(c1ccccc1)n1c2ccc(C#CC3CCCCC3)cc2c2cc(Cl)cnc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.40
HTR6 P50406 5/20 0.38
SRC P12931 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
ACLY P53396 1/20 0.32
SCN9A Q15858 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL675846 0.85 SRC (0.40) HTR6SRCGRM5ACLYALDH1A1
SCHEMBL3427912 0.84 NPC1 (0.37) PAX8HTR6NPC1RAB9A
SCHEMBL676169 0.84 PAX8 (0.40) PAX8HTR6SRCNPC1MAPT
SCHEMBL676809 0.83 PAX8 (0.40) PAX8HTR6NPC1MAPTRAB9A
SCHEMBL675772 0.80 NPC1 (0.46) HTR6SRCNPC1RAB9ACYP1A2
SCHEMBL675233 0.79 HTR6 (0.36) PAX8HTR6SRCACLY
SCHEMBL3664241 0.76 ACLY (0.43) HTR6SRCACLYALDH1A1
SCHEMBL13460984 0.76 ACLY (0.43) HTR6SRCACLYALDH1A1
SCHEMBL675276 0.76 HTR6 (0.43) HTR6SRCLMNAACLYALDH1A1
SCHEMBL675278 0.74 SRC (0.41) HTR6SRCLMNAGAAACLY

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 4762/4885SRC 178/4885

“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.