SCHEMBL4883914

SCHEMBL4883914

COc1ccc(-c2c(C(=O)O)[nH]c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.72
ALDH1A1 P00352 4/20 0.72
HPGD P15428 3/20 0.72
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAP2 P11137 3/20 0.56
PADI4 Q9UM07 2/20 0.56
ASAH1 Q13510 1/20 0.56
PTGS2 P35354 1/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGS1 P23219 1/20 0.54
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL5162859 0.87 PTGS2 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27464080 0.85 PADI4 (0.68) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3091466 0.85 KDM4E (1.00) KDM4EALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL5203951 0.83 KDM4E (0.96) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6857725 0.83 HPGD (0.62) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL6857639 0.83 PTGS2 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9816507 0.81 KDM4E (0.79) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9441674 0.81 KDM4E (0.79) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4591604 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL18919757 0.80 MCL1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US claimed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US claimed
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US disclosed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 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 (2 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT KDM4E 512/4885ALDH1A1 788/4885HPGD 253/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT KDM4E 902/4885ALDH1A1 1731/4885HPGD 953/4885

“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.