SCHEMBL4601191

SCHEMBL4601191

COc1ccc(-c2c(C(=O)NS(C)(=O)=O)[nH]c3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.50
MAP2 P11137 1/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 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
SCHEMBL5159252 0.85 KDM4E (0.63) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL5157162 0.83 MAPT (0.54) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL5427113 0.83 MAPT (0.53) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL4591604 0.82 KDM4E (0.54) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL4900969 0.81 MAP2 (0.70) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL5159040 0.76 KDM4E (0.46) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL4591789 0.75 KDM4E (0.49) MAPTKDM4EALDH1A1HPGDGAA
Methanesulfonamide SCHEMBL5159051 0.74 KDM4E (0.48) MAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL4592690 0.73 ALDH1A1 (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL5425215 0.73 MEN1 (0.55) MAP2MAPTKDM4EALDH1A1HPGD

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
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT MCL1 6/4885MAP2 2318/4885MAPT 4170/4885

“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.