SCHEMBL2318308

SCHEMBL2318308

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(Cl)ccc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ LMNA P02545 5/20 0.43
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ USP2 O75604 2/20 0.40

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
SCHEMBL2318987 0.92 ALDH1A1 (0.50) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2448391 0.91 POLB (0.44) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2323535 0.91 POLB (0.56) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2443108 0.89 ALDH1A1 (0.53) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2323801 0.89 WNT3A (0.48) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2321536 0.87 MAPT (0.48) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2320298 0.86 POLB (0.53) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2322929 0.86 LMNA (0.47) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2317602 0.84 POLB (0.53) POLBLMNAALDH1A1MAPTL3MBTL1
SCHEMBL2445770 0.84 LMNA (0.43) POLBLMNAALDH1A1MAPTL3MBTL1

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 POLB 3834/4885LMNA 579/4885ALDH1A1 4584/4885

“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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