SCHEMBL3365356

SCHEMBL3365356

CCNCc1cc(-n2cccn2)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
TNIK Q9UKE5 1/20 0.35
TP53 P04637 1/20 0.35
MITF O75030 1/20 0.34
POLB P06746 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
SCHEMBL3365354 0.79 NOTUM (0.45) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL23545613 0.77 KDM4E (0.51) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL23555483 0.71 KDM4E (0.46) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL16983933 0.70 MAPT (0.46) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL3366560 0.70 KDM4E (0.57) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL8689688 0.69 CHRM2 (0.44) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL3364708 0.68 MAPT (0.48) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL13347696 0.67 NOTUM (0.53) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL23723806 0.67 NOTUM (0.49) NLRP3KDM4EALDH1A1MAPK1NOTUM
SCHEMBL22797662 0.67 MAPT (0.46) NLRP3KDM4EALDH1A1MAPK1NOTUM

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 NLRP3 2615/4885KDM4E 4767/4885ALDH1A1 2005/4885

“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.