SCHEMBL2442636

SCHEMBL2442636

COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCc2nc3ccccc3c(C(=O)NC3CCN(C)CC3)c2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ POLB P06746 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL2447811 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2316254 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2450810 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2446049 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2442095 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2448713 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2317901 0.79 ALDH1A1 (0.48) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2315676 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2429077 0.78 POLB (0.57) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL2448301 0.78 POLB (0.59) ALDH1A1MAPK1POLBL3MBTL1MAPT

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.

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