SCHEMBL676831

SCHEMBL676831

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccco3)cc2c2c(-c3ccco3)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ALK Q9UM73 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KAT6A Q92794 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NR4A2 P43354 1/20 0.35
FLT3 P36888 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 1/20 0.33
ADORA2A P29274 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GBA1 P04062 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL3664606 0.88 ALDH1A1 (0.37) ALDH1A1ALKHPGDTSHRHSD17B10
SCHEMBL676859 0.82 HTR6 (0.43) ALKPIK3C3SRCHTR6PTGDR2
SCHEMBL3730873 0.82 CNR2 (0.38) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL3666385 0.79 SRC (0.38) ALDH1A1ALKHPGDTSHRHSD17B10
SCHEMBL676078 0.79 ALDH1A1 (0.40) ALDH1A1ALKHPGDTSHRHSD17B10
SCHEMBL3669859 0.78 ALDH1A1 (0.39) ALDH1A1ALKHPGDTSHRHSD17B10
SCHEMBL675809 0.76 CCNA2 (0.46) ALDH1A1HPGDMAPTHTR6PTGDR2
SCHEMBL674219 0.75 MEN1 (0.46) ALDH1A1HPGDSRCSMN1; SMN2HTR6
SCHEMBL13461110 0.75 CCNA2 (0.43) HPGDMAPTHTR6PTGDR2GBA1
SCHEMBL3662668 0.74 HTR6 (0.42) ALDH1A1SRCSMN1; SMN2HTR6PTGDR2

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 ALDH1A1 749/4885ALK 1/4885HPGD 4079/4885

“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.