SCHEMBL2911220

SCHEMBL2911220

COc1ccc(CCNc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.32
TSHR P16473 3/20 0.32
POLB P06746 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GALR3 O60755 1/20 0.32
CYP3A4 P08684 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
SCHEMBL2913380 0.94 MAPT (0.36) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL2910840 0.90 NPC1 (0.39) MAPTSMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL2911192 0.85 ALDH1A1 (0.41) MAPTSMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL2913076 0.83 CACNA1H (0.43) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL2913637 0.80 AOC3 (0.35) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2905966 0.80 SMN1; SMN2 (0.37) MAPTSMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL2909138 0.80 FFAR4 (0.40) KMT2AALDH1A1MEN1
SCHEMBL2910781 0.80 RXRA (0.34) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL2912613 0.80 ALDH1A1 (0.37) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL2911751 0.79 RAB9A (0.36) MAPTSMN1; SMN2KMT2ANPC1ALDH1A1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP claimed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP claimed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP claimed
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 claimed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US claimed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US claimed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US claimed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US claimed
CN-1638763-A antidepressants TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-07-13 CN claimed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US claimed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US claimed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP claimed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP claimed
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 claimed
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 claimed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US claimed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP claimed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP 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 (8 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 MAPT 3659/4885SMN1; SMN2 3766/4885HTT 1768/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MAPT 1823/4885SMN1; SMN2 2626/4885HTT 2457/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 MAPT 3659/4885SMN1; SMN2 3766/4885HTT 1768/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO MAPT 4127/4885SMN1; SMN2 376/4885HTT 709/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 MAPT 1426/4885SMN1; SMN2 54/4885HTT 43/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 MAPT 4443/4885SMN1; SMN2 528/4885HTT 1140/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 MAPT 1823/4885SMN1; SMN2 2626/4885HTT 2457/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 MAPT 813/4885SMN1; SMN2 16/4885HTT 27/4885

“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.