SCHEMBL676159

SCHEMBL676159

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc(-c3ccccc3[N+](=O)[O-])nc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.37
ADAMTS4 O75173 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
IKBKB O14920 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
ADORA1 P30542 1/20 0.36
SRC P12931 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EIF4E P06730 2/20 0.34

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
SCHEMBL676160 0.82 NOD1 (0.44) ALDH1A1DCTPP1SRCKMT2AMEN1
SCHEMBL675427 0.80 DCTPP1 (0.37) ALDH1A1TDP1ADAMTS4DCTPP1KDM1A
SCHEMBL674218 0.80 ALDH1A1 (0.39) ALDH1A1TDP1ADAMTS4DCTPP1IKBKB
SCHEMBL3670469 0.78 DCTPP1 (0.39) ALDH1A1TDP1ADAMTS4DCTPP1IKBKB
SCHEMBL675183 0.78 HTR6 (0.47) ALDH1A1SRCCA12CA2CA9
SCHEMBL674647 0.74 MAPT (0.43) ALDH1A1TDP1ADORA1KMT2AMEN1
SCHEMBL676610 0.73 ALDH1A1 (0.45) ALDH1A1TDP1DCTPP1KDM1AKMT2A
SCHEMBL675444 0.72 HTR6 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NOD1
SCHEMBL676078 0.72 ALDH1A1 (0.40) ALDH1A1TDP1ADORA1SRCCA12
SCHEMBL3668236 0.71 HTR6 (0.46) SRCCA12CA2CA9NOD1

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 749/4885TDP1 2082/4885PTPN1 82/4885

“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.