SCHEMBL674651

SCHEMBL674651

CCOCn1c2ccccc2c2c(Oc3cccc([N+](=O)[O-])c3)ccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL675146 0.84 MTNR1B (0.38) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL678755 0.83 MAPT (0.45) LMNAMAPTPDE4APDE4BPDE4C
SCHEMBL676098 0.79 MAPT (0.44) KMT2ALMNAMAPTMEN1PDE4A
SCHEMBL675524 0.71 UTS2R (0.37) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL676390 0.66 SLC2A1 (0.34) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL11453175 0.66 LMNA (0.57) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL7482913 0.65 PDGFRA (0.68) ABCG2PDGFRAKDR
SCHEMBL1008449 0.65 CHRNB2 (0.58) KMT2ALMNAMAPTMEN1CHRNB4
SCHEMBL676070 0.65 UTS2R (0.33) LMNAMAPTPOLB
SCHEMBL1985000 0.64 CHRNB2 (0.65) KMT2ALMNAMAPTMEN1ALDH1A1

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 KMT2A 492/4885LMNA 1863/4885MAPT 1494/4885

“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.