SCHEMBL2316096

SCHEMBL2316096

COc1ccc(NC(=O)CN2CCc3nc4ccccc4c(C(=O)N4CCN(CCO)CC4)c3C2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL2321274 0.91 MAPT (0.47) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2446843 0.91 ALDH1A1 (0.46) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2322027 0.91 MAPT (0.52) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL12301082 0.89 POLB (0.55) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2323215 0.89 ALDH1A1 (0.45) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2318196 0.87 ALDH1A1 (0.49) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL3350814 0.87 LMNA (0.46) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2319580 0.86 ALDH1A1 (0.48) MAPTLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL2448599 0.86 ALDH1A1 (0.53) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2323259 0.86 LMNA (0.47) MAPTLMNANPSR1ALDH1A1KMT2A

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 MAPT 2887/4885LMNA 579/4885NPSR1 246/4885

“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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