SCHEMBL2443108

SCHEMBL2443108

CC(C)Oc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ POLB P06746 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 6/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ KCNT1 Q5JUK3 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL2323535 0.93 POLB (0.56) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL2318987 0.91 ALDH1A1 (0.50) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2318564 0.90 ALDH1A1 (0.52) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2318308 0.89 POLB (0.44) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2323801 0.89 WNT3A (0.48) ALDH1A1POLBLMNAMAPTL3MBTL1
SCHEMBL2321536 0.89 MAPT (0.48) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2320298 0.89 POLB (0.53) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2317602 0.87 POLB (0.53) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2322929 0.86 LMNA (0.47) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL2323261 0.84 ALDH1A1 (0.50) ALDH1A1POLBKDM4ESMN1; SMN2LMNA

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 4 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

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 4584/4885POLB 3834/4885KDM4E 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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