SCHEMBL678755

SCHEMBL678755

Cn1c2ccccc2c2c(Oc3cccc([N+](=O)[O-])c3)ccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
ATM Q13315 1/20 0.40
MET P08581 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
FGFR1 P11362 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
POLB P06746 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL674651 0.83 KMT2A (0.41) MAPTALDH1A1ABCG2ATMLTA4H
SCHEMBL677933 0.82 L3MBTL1 (0.45) MAPTALDH1A1KDM4EFGFR1L3MBTL1
SCHEMBL679316 0.77 MAPT (0.51) MAPTALDH1A1NPSR1KDM4EABCG2
SCHEMBL11453175 0.70 LMNA (0.57) MAPTALDH1A1KDM4EABCG2LTA4H
SCHEMBL7482913 0.70 PDGFRA (0.68) ABCG2PDGFRAKDR
SCHEMBL28053128 0.69 ALOX5 (0.59) MAPTALDH1A1KDM4EABCG2CHRNB2
SCHEMBL25822220 0.68 ALDH1A1 (0.50) MAPTALDH1A1ABCG2LTA4HPTGS2
SCHEMBL7461659 0.68 KDR (0.48) MAPTALDH1A1ABCG2PDGFRAKDR
SCHEMBL5271515 0.67 L3MBTL1 (0.55) MAPTALDH1A1L3MBTL1CHRNB2CHRNA4
SCHEMBL4203388 0.67 TSHR (0.67) MAPTALDH1A1KDM4EABCG2LTA4H

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 2 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

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 MAPT 1494/4885ALDH1A1 749/4885NPSR1 1706/4885

“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.