SCHEMBL676160

SCHEMBL676160

O=[N+]([O-])c1ccc(-c2ccc3c(c2)c2ccc(-c4ccc([N+](=O)[O-])cc4)nc2n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
PSD A5PKW4 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
AR P10275 1/20 0.39
CCR6 P51684 1/20 0.39
NOD2 Q9HC29 1/20 0.38
HTR6 P50406 1/20 0.38
GBA1 P04062 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38

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
SCHEMBL675183 0.89 HTR6 (0.47) NOD1MEN1KMT2ASMN1; SMN2SRC
SCHEMBL675444 0.82 HTR6 (0.46) NOD1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL676159 0.82 ALDH1A1 (0.39) NOD1MEN1KMT2ASMN1; SMN2SRC
SCHEMBL674647 0.81 MAPT (0.43) NOD1MEN1KMT2AALDH1A1MAPT
SCHEMBL676610 0.81 ALDH1A1 (0.45) NOD1MEN1KMT2AALDH1A1MAPT
SCHEMBL675428 0.80 SRC (0.41) NOD1MEN1KMT2ASMN1; SMN2SRC
SCHEMBL678717 0.79 HTR6 (0.43) NOD1MEN1KMT2ALMNAALDH1A1
SCHEMBL674219 0.78 MEN1 (0.46) NOD1MEN1KMT2ASMN1; SMN2SRC
SCHEMBL3670473 0.78 PTGDR2 (0.42) NOD1MEN1KMT2ASMN1; SMN2SRC
SCHEMBL3668236 0.77 HTR6 (0.46) NOD1SRCHTR6PSEN1PSEN2

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 NOD1 1861/4885MEN1 1324/4885KMT2A 492/4885

“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.