SCHEMBL2374142

SCHEMBL2374142

COc1ccc(Cl)cc1NC(=O)CBr

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
ALDH1A1 P00352 7/20 0.74
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 3/20 0.65
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 2/20 0.60
PSMD14 O00487 1/20 0.59
APAF1 O14727 1/20 0.59
GRK2 P25098 1/20 0.59
BCL2L1 Q07817 1/20 0.59
MCL1 Q07820 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL2011023 0.89 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12300221 0.86 MEN1 (0.82) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL9468747 0.86 KMT2A (0.82) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14192656 0.86 KMT2A (0.82) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8824794 0.85 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL13329336 0.85 KMT2A (0.80) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL7931375 0.85 KMT2A (0.80) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL10604241 0.85 MEN1 (0.80) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL30662094 0.84 MEN1 (0.78) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL24499463 0.83 KMT2A (0.55) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
WO-2014192865-A1 PHENYLPIPERAZINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 WO disclosed
EP-2552914-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2013-02-06 EP disclosed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 US disclosed
WO-2011116867-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2011-09-29 WO 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
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 WO 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 (2 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-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS ENPP2, LYPLAL1, LYPLA1 MEN1 1075/4885KMT2A 572/4885ALDH1A1 3057/4885
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 MEN1 226/4885KMT2A 1069/4885ALDH1A1 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.