SCHEMBL2317526

SCHEMBL2317526

COc1ccc(Br)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MAPT P10636 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL2323261 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2449232 0.91 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2323535 0.91 POLB (0.56) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2315847 0.91 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2319580 0.90 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2322353 0.89 POLB (0.50) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2320954 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2320298 0.87 POLB (0.53) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2317680 0.85 KDM4E (0.44) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL2317602 0.85 POLB (0.53) ALDH1A1MAPK1MAPTPOLBL3MBTL1

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 ALDH1A1 4584/4885MAPK1 3988/4885MAPT 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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