SCHEMBL675427

SCHEMBL675427

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1cc(Cl)cnc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADAMTS4 O75173 1/20 0.36
SRC P12931 1/20 0.36
KIF18A Q8NI77 1/20 0.35
KDM1A O60341 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ACLY P53396 2/20 0.35
RAB9A P51151 1/20 0.34
HTR6 P50406 2/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EIF4E P06730 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
SCHEMBL675428 0.86 SRC (0.41) DCTPP1ALDH1A1SRCMEN1KMT2A
SCHEMBL13460984 0.83 ACLY (0.43) ALDH1A1SRCACLYHTR6HPGD
SCHEMBL3664241 0.83 ACLY (0.43) ALDH1A1SRCACLYHTR6HPGD
SCHEMBL3670469 0.83 DCTPP1 (0.39) DCTPP1ALDH1A1TDP1ADAMTS4KIF18A
SCHEMBL674218 0.80 ALDH1A1 (0.39) DCTPP1ALDH1A1TDP1ADAMTS4MEN1
SCHEMBL676159 0.80 ALDH1A1 (0.39) DCTPP1ALDH1A1TDP1ADAMTS4SRC
SCHEMBL675829 0.80 SRC (0.45) SRCACLYHTR6
SCHEMBL676132 0.78 LMNA (0.36) DCTPP1ALDH1A1SRCACLYHTR6
SCHEMBL677841 0.78 NPC1 (0.41) DCTPP1SRCHTR6
SCHEMBL674527 0.78 NPC1 (0.41) DCTPP1SRCHTR6

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 DCTPP1 4813/4885ALDH1A1 749/4885TDP1 2082/4885

“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.