SCHEMBL4885700

SCHEMBL4885700

COc1cc2[nH]c(C(=O)N(C)C)c(-c3ccccc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
GFER P55789 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL4592847 0.87 GPR35 (0.65) GPR35PDE3BPDE3AMEN1KMT2A
SCHEMBL4592168 0.86 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5161760 0.84 ALDH1A1 (0.60) GPR35PDE3BPDE3AMEN1KMT2A
SCHEMBL4592067 0.84 MAP2 (0.61) GPR35PDE3BPDE3AMEN1KMT2A
SCHEMBL4591789 0.82 KDM4E (0.49) GPR35PDE3BPDE3AMEN1KMT2A
SCHEMBL14527692 0.80 ALDH1A1 (0.56) GPR35PDE3BPDE3AMEN1KMT2A
SCHEMBL4591940 0.80 ALDH1A1 (0.67) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4591604 0.76 KDM4E (0.54) GPR35MEN1KMT2AKDM4EALDH1A1
SCHEMBL14527592 0.76 GPR35 (0.58) GPR35MEN1KMT2AKDM4EALDH1A1
SCHEMBL4879508 0.76 MAPT (0.48) MEN1KMT2AKDM4EALDH1A1HPGD

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 8 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-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-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
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 (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 GPR35 667/4885PDE3B 2004/4885PDE3A 1553/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT GPR35 536/4885PDE3B 1154/4885PDE3A 1177/4885

“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.