SCHEMBL2318191

SCHEMBL2318191

O=C(c1c2c(nc3ccccc13)CCN(CC(=O)N1CCOc3ccccc31)C2)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NOTUM Q6P988 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
SCHEMBL2319375 0.87 ALDH1A1 (0.56) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL2322111 0.82 DRD2 (0.44) DRD2DRD4MAPTALDH1A1MAPK1
SCHEMBL2447807 0.82 PKM (0.43) DRD2DRD4MAPTALDH1A1MAPK1
SCHEMBL26454872 0.80 MAPT (0.61) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL2320640 0.79 ALDH1A1 (0.60) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL2318089 0.75 LMNA (0.45) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL2320616 0.74 ALDH1A1 (0.41) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL2315847 0.74 ALDH1A1 (0.53) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL2445695 0.74 LMNA (0.47) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL2322437 0.73 FKBP1A (0.55) ALDH1A1MAPK1TP53LMNAMEN1

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 DRD2 173/4885DRD4 290/4885MAPT 2887/4885

“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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