SCHEMBL1908713

SCHEMBL1908713

CC(=O)NCCNC(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.69
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 1/20 0.63
KDM4E B2RXH2 1/20 0.61
F13A1 P00488 1/20 0.61
MEN1 O00255 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
CA12 O43570 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
EPHX2 P34913 1/20 0.56
CNR1 P21554 1/20 0.54
P2RX7 Q99572 1/20 0.54
PLAAT5 Q96KN8 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53

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
SCHEMBL7858 0.93 KDM4E (0.69) EPHX1NPC1RAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL31736052 0.91 KDM4E (0.67) EPHX1NPC1RAB9AMAPTKDM4E
SCHEMBL6032606 0.89 EPHX1 (0.85) EPHX1NPC1RAB9AMAPTKDM4E
SCHEMBL7356956 0.87 KDM4E (0.62) EPHX1NPC1RAB9AMAPTKDM4E
SCHEMBL23116467 0.86 EPHX1 (0.64) EPHX1NPC1RAB9AMAPTMEN1
SCHEMBL3861314 0.84 KDM4E (0.59) EPHX1NPC1RAB9AMAPTKDM4E
SCHEMBL160344 0.84 EPHX1 (0.71) EPHX1NPC1RAB9AMAPTMEN1
SCHEMBL10592850 0.82 KDM4E (0.84) MAPTKDM4EF13A1SMN1; SMN2ALDH1A1
SCHEMBL10066080 0.82 KDM4E (0.66) EPHX1MAPTKDM4EF13A1MEN1
SCHEMBL17117307 0.81 EPHX2 (0.80) EPHX1NPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX1 1339/4885NPC1 762/4885RAB9A 2373/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX1 1066/4885NPC1 959/4885RAB9A 2513/4885

“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.