SCHEMBL1859720

SCHEMBL1859720

N#Cc1ccc(N2CCOCC2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A9 P48067 3/20 0.44
SLC6A5 Q9Y345 3/20 0.44
PRKDC P78527 3/20 0.44
ACP1 P24666 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.41
TNIK Q9UKE5 1/20 0.41
NSD2 O96028 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 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
SCHEMBL427668 0.82 MAPK1 (0.64) MAPTMAPK1ALDH1A1ARKDM4E
SCHEMBL7295036 0.82 DRD2 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1239096 0.81 SLC6A9 (0.58) MAPK1ALDH1A1ARKDM4EHPGD
SCHEMBL1857426 0.81 LMNA (0.49) MAPTMAPK1ALDH1A1ARKDM4E
SCHEMBL9424288 0.81 ALDH1A1 (0.55) MAPTMAPK1ALDH1A1ARKDM4E
SCHEMBL247937 0.78 FFAR4 (0.39) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL20181102 0.78 DRD2 (0.49) MAPK1ALDH1A1ARKDM4EHPGD
SCHEMBL31399315 0.78 DRD2 (0.49) MAPK1ALDH1A1ARKDM4EHPGD
SCHEMBL20168126 0.77 LGMN (0.61) MAPTMAPK1ALDH1A1ARKDM4E
SCHEMBL10164866 0.77 KDM4E (0.55) MAPTMAPK1ALDH1A1ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
EP-2324022-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010015520-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 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 (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-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 MAPT 4405/4885MAPK1 2891/4885ALDH1A1 1585/4885

“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.