SCHEMBL2320153

SCHEMBL2320153

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cccc2ccoc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ GAA P10253 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 9/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 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
SCHEMBL2317680 0.89 KDM4E (0.44) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2322493 0.89 LMNA (0.45) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2318089 0.84 LMNA (0.45) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2315847 0.84 ALDH1A1 (0.53) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2445695 0.82 LMNA (0.47) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2322929 0.81 LMNA (0.47) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2321536 0.80 MAPT (0.48) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2445770 0.80 LMNA (0.43) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL2449232 0.80 ALDH1A1 (0.49) LMNAMAPTKDM4EGAAHSD17B10
SCHEMBL12301091 0.80 LMNA (0.43) LMNAMAPTKDM4EGAAHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US claimed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — WO 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 LMNA 579/4885MAPT 2887/4885KDM4E 1953/4885

“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.

Send feedback