SCHEMBL2321530

SCHEMBL2321530

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCN(CCO)CC3)c2C1)Nc1cc(Cl)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.42
▸ MAPT P10636 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TERT O14746 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 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
SCHEMBL2319410 0.93 LMNA (0.47) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL2316929 0.92 ALDH1A1 (0.46) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL2445846 0.92 LMNA (0.44) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL2320646 0.92 LMNA (0.45) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL12301089 0.90 LMNA (0.44) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL2318703 0.90 LMNA (0.46) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL12301095 0.90 LMNA (0.47) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL12301082 0.90 POLB (0.55) LMNAPOLBHTTKMT2AALDH1A1
SCHEMBL2448391 0.89 POLB (0.44) LMNASMN1; SMN2POLBKDM4EHTT
SCHEMBL3350814 0.88 LMNA (0.46) LMNASMN1; SMN2POLBKDM4EHTT

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 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
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 LMNA 579/4885SMN1; SMN2 4063/4885POLB 3834/4885

“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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