SCHEMBL873130

SCHEMBL873130

C(=Cc1cccc2ccccc12)c1cc(C=Cc2cccc3ccccc23)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CHAT P28329 6/20 0.47
RXRA P19793 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
NPY1R P25929 1/20 0.42
MAPK1 P28482 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL873129 1.00 KDM4E (0.52) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30747848 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL29673969 0.81 CHAT (0.49) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL318015 0.81 CHAT (0.49) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL318014 0.81 CHAT (0.49) KDM4EALDH1A1HPGDPTGS1PTGS2
SCHEMBL10706687 0.80 CHAT (0.62) KDM4EALDH1A1PTGS1PTGS2CHAT
SCHEMBL10706694 0.80 CHAT (0.62) KDM4EALDH1A1PTGS1PTGS2CHAT
SCHEMBL10706700 0.80 CHAT (0.62) KDM4EALDH1A1PTGS1PTGS2CHAT
SCHEMBL14279418 0.80 RAB9A (0.59) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3162895 0.80 RAB9A (0.59) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2013-10-31 US disclosed
EP-2619591-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
EP-2619590-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 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-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM SNCA, MAPT, TARDBP KDM4E 4621/4885ALDH1A1 1165/4885HPGD 2757/4885

“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.