SCHEMBL2316013

SCHEMBL2316013

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCN(CCO)CC3)c2C1)Nc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ WNT3A P56704 7/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TERT O14746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL12301082 0.91 POLB (0.55) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2323801 0.90 WNT3A (0.48) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2448391 0.90 POLB (0.44) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2318564 0.90 ALDH1A1 (0.52) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2316929 0.89 ALDH1A1 (0.46) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2319410 0.88 LMNA (0.47) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2321530 0.88 LMNA (0.44) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL2445846 0.88 LMNA (0.44) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL12301095 0.86 LMNA (0.47) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL12301089 0.86 LMNA (0.44) POLBLMNAALDH1A1L3MBTL1MAPT

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

“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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