SCHEMBL3366560

SCHEMBL3366560

O=Cc1cc(-n2cccn2)ccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
NOTUM Q6P988 1/20 0.45
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
PDK2 Q15119 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
HDAC4 P56524 1/20 0.35
NLRP3 Q96P20 2/20 0.34
KAT6A Q92794 1/20 0.34
PTPN1 P18031 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL308368 0.81 KDM4E (0.57) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL23667579 0.78 KDM4E (0.57) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL6850771 0.78 KDM4E (0.57) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL8397313 0.75 KDM4E (0.53) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL13347702 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MAPK1NOTUMPTPN1
SCHEMBL98459 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1NOTUMMAPT
Methylamine SCHEMBL27412615 0.73 KDM4E (0.47) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL29957504 0.72 ALDH1A1 (0.67) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL1663339 0.72 ALDH1A1 (0.67) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL3365354 0.72 NOTUM (0.45) KDM4EALDH1A1MAPK1NOTUMLMNA

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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KDM4E 4767/4885ALDH1A1 2005/4885MAPK1 4125/4885

“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.