SCHEMBL2319375

SCHEMBL2319375

O=C(c1c2c(nc3ccccc13)CCN(CC(=O)N1CCCc3ccccc31)C2)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ LMNA P02545 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 2/20 0.45
▸ ALOX15 P16050 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ RECQL P46063 1/20 0.42

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
SCHEMBL2318191 0.87 DRD2 (0.43) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2322111 0.85 DRD2 (0.44) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL26454872 0.80 MAPT (0.61) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2320640 0.79 ALDH1A1 (0.60) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2318089 0.76 LMNA (0.45) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2315847 0.74 ALDH1A1 (0.53) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2320616 0.74 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL2445695 0.74 LMNA (0.47) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2322437 0.73 FKBP1A (0.55) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL2322929 0.73 LMNA (0.47) ALDH1A1LMNANPSR1MEN1KMT2A

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 5 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 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 ALDH1A1 4584/4885LMNA 579/4885NPSR1 246/4885

“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.

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