SCHEMBL2445191

SCHEMBL2445191

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCCN(Cc4ccccc4)CC3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
MAPK1 P28482 3/20 0.57
POLB P06746 4/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 2/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KCNT1 Q5JUK3 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2451480 0.97 ALDH1A1 (0.58) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2448488 0.92 ALDH1A1 (0.55) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2315984 0.91 POLB (0.56) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2448301 0.90 POLB (0.59) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2320643 0.89 POLB (0.55) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL12301082 0.89 POLB (0.55) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2449245 0.89 POLB (0.53) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2320298 0.88 POLB (0.53) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2445262 0.88 POLB (0.53) ALDH1A1MAPK1POLBMAPTL3MBTL1
SCHEMBL2323535 0.88 POLB (0.56) ALDH1A1MAPK1POLBMAPTL3MBTL1

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 4584/4885MAPK1 3988/4885POLB 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.