SCHEMBL5117212

SCHEMBL5117212

CCOC(=O)c1c(Cl)c2cc(C)ccc2n(Cc2ccccn2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.46
PLA2G2A P14555 2/20 0.45
KDM4E B2RXH2 6/20 0.44
LMNA P02545 5/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 2/20 0.43
S1PR3 Q99500 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4751504 0.90 L3MBTL1 (0.50) L3MBTL1ALDH1A1PLA2G2AKDM4ELMNA
SCHEMBL1064220 0.90 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL4698950 0.86 KDM4E (0.58) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL4789201 0.83 HRH1 (0.42) ALDH1A1PLA2G2A
SCHEMBL14177944 0.82 PLA2G2A (0.40) ALDH1A1PLA2G2AKDM4EMEN1KMT2A
SCHEMBL5118981 0.81 ALDH1A1 (0.40) ALDH1A1PLA2G2AKDM4ELMNAMAPT
SCHEMBL1063465 0.81 KDM4E (0.69) ALDH1A1KDM4ELMNAMAPTPKM
SCHEMBL7157620 0.79 KDM4E (0.67) ALDH1A1KDM4ELMNAMAPTPKM
SCHEMBL12932651 0.77 L3MBTL1 (0.69) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL4699355 0.76 RECQL (0.63) L3MBTL1ALDH1A1GAAMAPTMEN1

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
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 L3MBTL1 3091/4885ALDH1A1 2365/4885PLA2G2A 3760/4885

“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.