SCHEMBL4592128

SCHEMBL4592128

COc1ccc(-c2c(C(=O)O)[nH]c3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 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
SCHEMBL4599514 0.88 MAPT (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4591604 0.88 KDM4E (0.54) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4592847 0.87 GPR35 (0.65) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL14527768 0.84 KDM4E (0.49) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL9438074 0.83 TUBB4A (0.45) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9437968 0.83 TUBB4A (0.65) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9438071 0.80 TUBB4A (0.47) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4592067 0.80 MAP2 (0.61) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL4900969 0.78 MAP2 (0.70) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5161760 0.77 ALDH1A1 (0.60) GPR35KDM4EALDH1A1MEN1KMT2A

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 12 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
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-5296499-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-22 US disclosed
EP-0449196-A2 Indole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP 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 667/4885KDM4E 512/4885ALDH1A1 788/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT GPR35 536/4885KDM4E 902/4885ALDH1A1 1731/4885

“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.