SCHEMBL2316929

SCHEMBL2316929

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCN(CCO)CC3)c2C1)Nc1cc(Cl)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TERT O14746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ KCNT1 Q5JUK3 1/20 0.40

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) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL2445846 0.92 LMNA (0.44) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL2321530 0.92 LMNA (0.44) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL12301089 0.90 LMNA (0.44) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL2318703 0.90 LMNA (0.46) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL12301095 0.90 LMNA (0.47) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL12301082 0.90 POLB (0.55) ALDH1A1LMNATP53HTTKMT2A
SCHEMBL2323215 0.89 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL2316013 0.89 POLB (0.43) ALDH1A1LMNAKDM4ETDP1TP53
SCHEMBL2448391 0.89 POLB (0.44) ALDH1A1LMNAKDM4ETDP1TP53

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 ALDH1A1 4584/4885LMNA 579/4885KDM4E 1953/4885

“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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