SCHEMBL679316

SCHEMBL679316

Cn1c2ccccc2c2ccc(Oc3cccc([N+](=O)[O-])c3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ABCG2 Q9UNQ0 1/20 0.47
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
LTA4H P09960 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
FGFR1 P11362 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL676098 0.84 MAPT (0.44) MAPTABCG2POLBATMKMT2A
SCHEMBL679246 0.82 L3MBTL1 (0.50) MAPTALDH1A1NPSR1KDM4EKMT2A
SCHEMBL678755 0.77 MAPT (0.45) MAPTABCG2ALDH1A1NPSR1KDM4E
SCHEMBL10352832 0.76 ABCG2 (0.56) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL18928573 0.72 MAPT (0.82) MAPTALDH1A1NPSR1KDM4EPOLB
SCHEMBL4203388 0.69 TSHR (0.67) MAPTABCG2ALDH1A1KDM4EKMT2A
SCHEMBL4948533 0.69 ABCG2 (0.54) MAPTABCG2ALDH1A1KDM4EKMT2A
SCHEMBL150552 0.69 MAPT (1.00) MAPTALDH1A1NPSR1KDM4EPOLB
SCHEMBL23293741 0.68 TLR4 (0.61) MAPTABCG2ALDH1A1KDM4EKMT2A
SCHEMBL30098485 0.68 TLR4 (0.61) MAPTABCG2ALDH1A1KDM4EKMT2A

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 1494/4885ABCG2 1990/4885ALDH1A1 749/4885

“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.