SCHEMBL2322916

SCHEMBL2322916

O=C(CCc1ccc(Cl)cc1Cl)N1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMPD1 P17405 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ENPP2 Q13822 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
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ PIK3R3 Q92569 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 2/20 0.38

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
SCHEMBL2320028 0.93 MEN1 (0.39) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2321540 0.90 MAPK1 (0.48) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2451622 0.88 FKBP1A (0.45) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2321096 0.87 FKBP1A (0.43) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2322437 0.85 FKBP1A (0.55) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2320811 0.83 MAPK1 (0.41) MAPK1ALDH1A1LMNATP53MAPT
SCHEMBL2320894 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL2449912 0.77 ALDH1A1 (0.45) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2320616 0.75 ALDH1A1 (0.41) MAPK1ALDH1A1LMNATSHRTP53
SCHEMBL2322111 0.75 DRD2 (0.44) MAPK1ALDH1A1LMNATP53MAPT

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 MAPK1 3988/4885ALDH1A1 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.

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