SCHEMBL2445526

SCHEMBL2445526

O=C(c1c2c(nc3ccccc13)CCN(CNc1cc(Cl)cc3ccoc13)C2)N1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 9/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ BCHE P06276 3/20 0.37
▸ ACHE P22303 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL12301091 0.91 LMNA (0.43) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2320130 0.84 LMNA (0.40) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2451497 0.83 ALDH1A1 (0.46) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2322493 0.81 LMNA (0.45) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2316101 0.81 KMT2A (0.34) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2319059 0.80 LMNA (0.43) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2319410 0.78 LMNA (0.47) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2321530 0.78 LMNA (0.44) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2316929 0.78 ALDH1A1 (0.46) LMNAALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL2445846 0.78 LMNA (0.44) LMNAALDH1A1MAPK1TP53SMN1; SMN2

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 2 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

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 LMNA 579/4885ALDH1A1 4584/4885MAPK1 3988/4885

“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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