SCHEMBL2320944

SCHEMBL2320944

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCC(N(C)C)CC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ THRB P10828 1/20 0.45
▸ KCNT1 Q5JUK3 2/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL2316555 0.90 POLB (0.53) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2448301 0.89 POLB (0.59) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2322198 0.88 POLB (0.56) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2323535 0.88 POLB (0.56) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2315984 0.88 POLB (0.56) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2445274 0.88 POLB (0.53) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2451480 0.88 ALDH1A1 (0.58) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2320643 0.87 POLB (0.55) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL12301082 0.87 POLB (0.55) POLBALDH1A1MAPTL3MBTL1TP53
SCHEMBL2448488 0.86 ALDH1A1 (0.55) POLBALDH1A1MAPTL3MBTL1TP53

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
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 3834/4885ALDH1A1 4584/4885MAPT 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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