SCHEMBL14632564

SCHEMBL14632564

Cc1ccc(-c2ccc3cccc(Nc4c(C(C)C)cccc4C(C)C)c3n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
NFKBIA P25963 2/20 0.36
RELA Q04206 2/20 0.36
GLO1 Q04760 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
SLC40A1 Q9NP59 2/20 0.32
AGTR1 P30556 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CCR4 P51679 1/20 0.32
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL14632500 0.81 CCR4 (0.34) NFKBIARELAGLO1SLC40A1AGTR1
SCHEMBL21248111 0.79 SLC40A1 (0.45) PLAUNFKBIARELAGLO1MAPT
SCHEMBL1005996 0.78 ALDH1A1 (0.38) MAPTKDM4ELMNASLC40A1SMN1; SMN2
SCHEMBL21778151 0.76 GABRA1 (0.38) PLAUGLO1MAPTLMNASLC40A1
SCHEMBL2286780 0.73 TDP1 (0.52) NFKBIAGLO1MAPTKDM4ELMNA
SCHEMBL21772242 0.72 CCR4 (0.35) PLAUNFKBIARELAGLO1KDM4E
SCHEMBL14632639 0.70 LMNA (0.41) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL23499841 0.70 ALDH1A1 (0.39) MAPTKDM4ELMNAHTTPAX8
SCHEMBL21772221 0.69 PTK2 (0.33) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL14632443 0.69 BACE1 (0.56) PLAUNFKBIARELAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023635-A1 CATALYSTS BASED ON HETEROCYCLIC-8-ANILINOQUINOLINE LIGANDS EQUISTAR CHEMICALS, LP 2013-01-24 US disclosed
US-20130023635-A1 CATALYSTS BASED ON HETEROCYCLIC-8-ANILINOQUINOLINE LIGANDS EQUISTAR CHEMICALS, LP 2013-01-24 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 (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-20130023635-A1 CATALYSTS BASED ON HETEROCYCLIC-8-ANILINOQUINOLINE LIGANDS TLR7, LENG8, TLR8 PLAU 2021/4885NFKBIA 608/4885RELA 252/4885

“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.