SCHEMBL2323535

SCHEMBL2323535

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.56
▸ TP53 P04637 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ LMNA P02545 4/20 0.49
▸ USP2 O75604 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNT1 Q5JUK3 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL2320298 0.96 POLB (0.53) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2317602 0.94 POLB (0.53) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2443108 0.93 ALDH1A1 (0.53) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2318987 0.93 ALDH1A1 (0.50) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2323261 0.92 ALDH1A1 (0.50) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2448301 0.92 POLB (0.59) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL12301129 0.91 POLB (0.51) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2317526 0.91 ALDH1A1 (0.49) POLBALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL2315984 0.91 POLB (0.56) POLBTP53ALDH1A1MAPTL3MBTL1
SCHEMBL2449232 0.91 ALDH1A1 (0.49) POLBALDH1A1MAPTL3MBTL1MAPK1

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 3834/4885TP53 262/4885ALDH1A1 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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