SCHEMBL2813508

SCHEMBL2813508

Cc1c(C)c(N2Cc3ccccc3C2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NOTUM Q6P988 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL657755 0.80 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL661032 0.75 AKR1C3 (0.40) ALDH1A1SMN1; SMN2HPGDMAPTCYP2C19
SCHEMBL4042048 0.75 KMT2A (0.36) ALDH1A1SMN1; SMN2HPGDMAPTCYP1A2
SCHEMBL657924 0.74 HSP90AA1 (0.41) ALDH1A1MAPTCYP1A2CYP2C19NPC1
SCHEMBL658001 0.74 HSP90AA1 (0.42) ALDH1A1POLBLMNAHSP90AA1HSP90AB1
SCHEMBL657676 0.73 MEN1 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTCYP1A2
SCHEMBL659624 0.73 LMNA (0.40) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL658656 0.72 LMNA (0.34) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL658166 0.72 MAPT (0.42) ALDH1A1MAPTHTT
SCHEMBL10240199 0.71 MAPT (0.37) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19

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 ALDH1A1 3081/4885SMN1; SMN2 3766/4885HPGD 1612/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 ALDH1A1 3081/4885SMN1; SMN2 3766/4885HPGD 1612/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALDH1A1 359/4885SMN1; SMN2 376/4885HPGD 854/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 ALDH1A1 735/4885SMN1; SMN2 54/4885HPGD 352/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALDH1A1 311/4885SMN1; SMN2 528/4885HPGD 1083/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 ALDH1A1 311/4885SMN1; SMN2 16/4885HPGD 709/4885

“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.