SCHEMBL2318728

SCHEMBL2318728

CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ALDH1A1 P00352 8/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ LMNA P02545 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ POLB P06746 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ GAA P10253 1/20 0.51
▸ C5AR1 P21730 1/20 0.46

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
SCHEMBL2320640 0.88 ALDH1A1 (0.60) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL12301081 0.85 KMT2A (0.70) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9876846 0.83 KMT2A (0.70) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL26454875 0.80 ALDH1A1 (0.75) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL26454870 0.80 ALDH1A1 (0.89) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2317218 0.79 MAPT (0.45) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL26454872 0.78 MAPT (0.61) KMT2AHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2321932 0.78 ALDH1A1 (0.50) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2448301 0.77 POLB (0.59) KMT2AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2450707 0.77 ALDH1A1 (0.45) KMT2AHTTSMN1; SMN2NPC1RAB9A

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 7 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
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 KMT2A 1069/4885HTT 653/4885SMN1; SMN2 4063/4885

“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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