SCHEMBL2448522

SCHEMBL2448522

COc1ccc(Cl)cc1-c1cc(CN2CCc3nc4ccccc4c(C4CN(C=O)CCO4)c3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD4 P21917 11/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ C5AR1 P21730 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2446015 0.85 KMT2A (0.45) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL2448725 0.82 KMT2A (0.55) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL2445278 0.82 ALDH1A1 (0.35) ALDH1A1MAPTPOLBL3MBTL1DRD4
SCHEMBL2322324 0.79 ALDH1A1 (0.49) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL2448128 0.66 ALDH1A1 (0.49) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL2320715 0.65 ALDH1A1 (0.52) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL3354230 0.65 ALDH1A1 (0.52) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL3347378 0.65 ALDH1A1 (0.52) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL2317915 0.63 ALDH1A1 (0.52) ALDH1A1MAPTPOLBL3MBTL1MAPK1
SCHEMBL12301198 0.62 ALDH1A1 (0.44) ALDH1A1MAPTPOLBL3MBTL1MAPK1

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 1 patent. 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

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 4584/4885MAPT 2887/4885POLB 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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