SCHEMBL2320616

SCHEMBL2320616

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)c1cc(Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL2322929 0.85 LMNA (0.47) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2322111 0.82 DRD2 (0.44) ALDH1A1TP53MAPK1LMNAMAPT
SCHEMBL2321536 0.82 MAPT (0.48) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2445695 0.81 LMNA (0.47) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2320640 0.81 ALDH1A1 (0.60) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2445770 0.80 LMNA (0.43) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2323535 0.80 POLB (0.56) ALDH1A1TP53MAPK1LMNAMAPT
SCHEMBL26454872 0.80 MAPT (0.61) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2321973 0.79 ALDH1A1 (0.45) ALDH1A1TP53MAPK1LMNAMAPT
SCHEMBL2443108 0.79 ALDH1A1 (0.53) ALDH1A1TP53MAPK1LMNATSHR

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 5 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
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 ALDH1A1 4584/4885TP53 262/4885MAPK1 3988/4885

“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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