SCHEMBL4592574

SCHEMBL4592574

CCOC(=O)c1[nH]c2ccc(OC)cc2c1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
HPGD P15428 7/20 0.73
CYP1A2 P05177 2/20 0.73
XBP1 P17861 1/20 0.73
CYP2C19 P33261 1/20 0.73
KDM4E B2RXH2 7/20 0.70
MAPT P10636 3/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
HSD17B10 Q99714 5/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
TUBB4A P04350 4/20 0.61
TUBB P07437 4/20 0.61
TUBA3C P0DPH7 4/20 0.61
TUBA1B P68363 4/20 0.61
TUBA4A P68366 4/20 0.61
TUBB4B P68371 4/20 0.61

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
SCHEMBL6848791 0.86 ALDH1A1 (0.78) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL8540181 0.86 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL6857725 0.85 HPGD (0.62) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4592566 0.85 ALDH1A1 (0.76) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2715272 0.84 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4592331 0.84 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL7530066 0.84 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL28800459 0.84 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4591940 0.84 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL11732071 0.84 ALDH1A1 (0.64) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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 15 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
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
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US 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
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP claimed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO 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
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 disclosed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
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 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
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 WO disclosed
US-6323228-B1 INHIBITING ANGIOGENESIS IN A MAMMAL IN RECOGNIZED NEED OF SUCH TREATMENT COMPRISING ADMINISTERING TO THE MAMMAL WITH INDOLE SUBSTITUTED WITH HYDRAZIDES ABBOTT LABORATORIES 2001-11-27 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 (3 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 ALDH1A1 788/4885HPGD 253/4885CYP1A2 264/4885
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 ALDH1A1 98/4885HPGD 416/4885CYP1A2 1856/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT ALDH1A1 1731/4885HPGD 953/4885CYP1A2 104/4885

“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.