SCHEMBL676098

SCHEMBL676098

CCOCn1c2ccccc2c2ccc(Oc3cccc([N+](=O)[O-])c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
IRAK4 Q9NWZ3 4/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 2/20 0.38
IRAK1 P51617 1/20 0.38
SMARCA2 P51531 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 1/20 0.36

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
SCHEMBL676186 0.84 POLB (0.41) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL679316 0.84 MAPT (0.51) MAPTKMT2AMEN1LMNAABCG2
SCHEMBL674651 0.79 KMT2A (0.41) MAPTKMT2AMEN1LMNAIRAK4
SCHEMBL10352832 0.69 ABCG2 (0.56) KMT2AMEN1LMNAABCG2
SCHEMBL674752 0.69 PTGER4 (0.49) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL679246 0.67 L3MBTL1 (0.50) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL7979640 0.65 MAPT (0.83) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL676181 0.65 GRM5 (0.42) MAPTKMT2AMEN1LMNAL3MBTL1
Alcohol SCHEMBL27698497 0.65 CYP2C9 (0.49) MAPTKMT2AMEN1LMNAABCG2
SCHEMBL20855877 0.64 MAPT (0.67) MAPTKMT2AMEN1LMNAIRAK4

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 MAPT 1494/4885KMT2A 492/4885MEN1 1324/4885

“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.