SCHEMBL2317680

SCHEMBL2317680

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(Br)cc2ccoc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ LMNA P02545 5/20 0.42
▸ ALDH1A1 P00352 12/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 2/20 0.38

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
SCHEMBL2322493 0.91 LMNA (0.45) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2320153 0.89 LMNA (0.45) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2317526 0.85 ALDH1A1 (0.49) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2320954 0.85 ALDH1A1 (0.44) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL12301091 0.82 LMNA (0.43) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2322929 0.82 LMNA (0.47) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2315847 0.81 ALDH1A1 (0.53) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2321536 0.81 MAPT (0.48) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2449232 0.81 ALDH1A1 (0.49) KDM4EMAPTHSD17B10GAATSHR
SCHEMBL2323261 0.80 ALDH1A1 (0.50) KDM4EMAPTHSD17B10GAATSHR

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 KDM4E 1953/4885MAPT 2887/4885HSD17B10 4191/4885

“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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