SCHEMBL2445263

SCHEMBL2445263

COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCN(C(C)(C)CN)CC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.46
KCNT1 Q5JUK3 1/20 0.44
IGF1R P08069 2/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR2 O95136 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
SCHEMBL2448301 0.90 POLB (0.59) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2445262 0.90 POLB (0.53) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2315984 0.89 POLB (0.56) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2451480 0.89 ALDH1A1 (0.58) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2320643 0.88 POLB (0.55) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL12301082 0.88 POLB (0.55) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2322198 0.88 POLB (0.56) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2323535 0.88 POLB (0.56) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2449245 0.88 POLB (0.53) POLBTP53ALDH1A1MAPK1MAPT
SCHEMBL2448488 0.87 ALDH1A1 (0.55) POLBTP53ALDH1A1MAPK1MAPT

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 claimed

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 POLB 3834/4885TP53 262/4885ALDH1A1 4584/4885

“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.