SCHEMBL12301129

SCHEMBL12301129

COc1ccc2nc3c(c(C(=O)N4CCOCC4)c2c1)CN(CC(=O)Nc1cc(Cl)ccc1OC)CC3

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ USP2 O75604 3/20 0.47
▸ PDE5A O76074 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 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
SCHEMBL2323535 0.91 POLB (0.56) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2317602 0.91 POLB (0.53) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2322353 0.88 POLB (0.50) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2318096 0.87 POLB (0.49) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2320298 0.87 POLB (0.53) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2321852 0.86 POLB (0.53) POLBALDH1A1MAPTLMNATP53
SCHEMBL2450528 0.85 POLB (0.53) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2443108 0.84 ALDH1A1 (0.53) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2318987 0.84 ALDH1A1 (0.50) POLBALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2448301 0.83 POLB (0.59) POLBALDH1A1MAPTL3MBTL1LMNA

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 2 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 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 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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