SCHEMBL2447807

SCHEMBL2447807

O=C(c1c2c(nc3ccccc13)CCN(CC(=O)N1CCOc3ccc(Cl)cc31)C2)N1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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 0.82 DRD2 (0.43) DRD2DRD4ALDH1A1TP53MAPK1
SCHEMBL2322111 0.81 DRD2 (0.44) DRD2DRD4POLBALDH1A1TP53
SCHEMBL2319410 0.79 LMNA (0.47) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL2321530 0.79 LMNA (0.44) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL2316929 0.79 ALDH1A1 (0.46) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL2445846 0.79 LMNA (0.44) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL3350814 0.78 LMNA (0.46) PKMPOLBALDH1A1TP53MAPK1
SCHEMBL12301089 0.77 LMNA (0.44) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL12301095 0.76 LMNA (0.47) POLBALDH1A1TP53MAPK1MAPT
SCHEMBL2318703 0.76 LMNA (0.46) POLBALDH1A1TP53MAPK1MAPT

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 4 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

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 PKM 2749/4885DRD2 173/4885DRD4 290/4885

“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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