SCHEMBL2317602

SCHEMBL2317602

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3cc(Cl)ccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ USP2 O75604 2/20 0.49
▸ TP53 P04637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL2322353 0.95 POLB (0.50) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2318096 0.94 POLB (0.49) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2323535 0.94 POLB (0.56) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL12301129 0.91 POLB (0.51) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2320298 0.90 POLB (0.53) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2321852 0.89 POLB (0.53) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2450528 0.88 POLB (0.53) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2443108 0.87 ALDH1A1 (0.53) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2318987 0.87 ALDH1A1 (0.50) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL2323261 0.85 ALDH1A1 (0.50) POLBALDH1A1LMNAMAPK1MAPT

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 POLB 3834/4885ALDH1A1 4584/4885LMNA 579/4885

“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.

Send feedback