Sugi Predict

Sugi Predict / Compounds / SCHEMBL2778461

SCHEMBL2778461

SCHEMBL2778461

COc1cc2c(cc1OC)CN(c1c(C)c(C)c3c(c1C)C(c1ccccc1)C(C)(C)O3)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TLR4 O00206 5/20 0.32
▸ DPP4 P27487 3/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29567882 0.92 TLR4 (0.35) ACHETLR4DPP4NPSR1
SCHEMBL2905278 0.92 TLR4 (0.35) ACHETLR4DPP4NPSR1
SCHEMBL1269359 0.92 TLR4 (0.35) ACHETLR4DPP4NPSR1
Hydrochloric Acid SCHEMBL2912744 0.91 TLR4 (0.34) TLR4DPP4NPSR1
Bromide SCHEMBL2910934 0.91 TLR4 (0.34) TLR4DPP4NPSR1
Hydrochloric Acid SCHEMBL2788412 0.91 TLR4 (0.34) TLR4DPP4NPSR1
SCHEMBL2905426 0.90 CA1 (0.33) KMT2AMEN1TLR4
SCHEMBL1268230 0.88 AKT1 (0.31) TLR4
SCHEMBL29487577 0.88 AKT1 (0.31) TLR4
SCHEMBL2904367 0.88 AKT1 (0.31) TLR4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291069-A1 METHODS OF TREATING A DIABETIC EMBRYOPATHY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-11-18 — — US claimed
US-8828924-B2 Methods of treating a diabetic embryopathy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-09-09 — — US disclosed
US-20100291069-A1 METHODS OF TREATING A DIABETIC EMBRYOPATHY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-11-18 — — US disclosed
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 — — EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 — — US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 — — EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 — — US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 — — US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 — — US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 — — US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 — — US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 — — US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 — — EP disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 — — EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 — — US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 — — EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 — — US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 — — US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 — — 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 (6 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 KMT2A 1469/4885MEN1 2613/4885CYP3A4 1385/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 KMT2A 1469/4885MEN1 2613/4885CYP3A4 1385/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO KMT2A 1061/4885MEN1 2906/4885CYP3A4 3955/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 KMT2A 2211/4885MEN1 2912/4885CYP3A4 92/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 KMT2A 451/4885MEN1 3718/4885CYP3A4 3321/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 KMT2A 2045/4885MEN1 3777/4885CYP3A4 126/4885

“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.